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BrightGene Bio-Medical Technology Co., Ltd.

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Profile: BrightGene Bio-Medical Technology Co., Ltd. is a manufacturer of active pharmaceutical ingredients and intermediates. We offer entecavir, posaconazole, pemetrexed disodium, aliskiren inter-5, decitabin and argatroban. Our intermediates include lapatinib inter-1 & inter-2 and aliskiren inter-1 to inter-12.

1 to 50 of 70 Products/Chemicals (Click for related suppliers)  Page: [1] 2 >> Next 50 Results
• Abacavir
IUPAC Name: [(4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopenten-1-yl]methanol;sulfuric acid | CAS Registry Number: 136777-48-5
Synonyms: AKOS015962201, FT-0606626

Molecular Formula: C28H38N12O6SMolecular Weight: 670.743120 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: ONBGCFRRXHDVAP-RCWTXCDDSA-N

• Adefovir
IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula: C8H12N5O4PMolecular Weight: 273.185741 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Aliskiren
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula: C30H53N3O6Molecular Weight: 551.758320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Argatroban
IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate | CAS Registry Number: 141396-28-3
Synonyms: argatroban, Novastan, Argatroban hydrate, Novastan (TN), Argatroban (USAN), Argatroban hydrate (JAN), D00181

Molecular Formula: C23H38N6O6SMolecular Weight: 526.649420 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: AIEZTKLTLCMZIA-LINCPPCXSA-N

• Benzene, [[(2S)-2-(bromomethyl)-3-methylbutoxy]methyl]-
IUPAC Name: [(2S)-2-(bromomethyl)-3-methylbutoxy]methylbenzene | CAS Registry Number: 172901-00-7
Synonyms: 1-(((S)-2-(Bromomethyl)-3-methylbutoxy)methyl)benzene, SureCN1132894, CTK0H3551, ANW-66632, SBB063319, ZINC34639378, AKOS015888740, AG-E-22309, RP29637, AK-33682, KB-212256, FT-0645499, I14-35915, (2S)-(benzyloxymethyl)-3-methyl-butyl bromide;Aliskiren inter-12;2(S)-Bromomethyl-3-methyl-butyl-benzylether;((2-(bromomethyl)-3-methylbutoxy)methyl)benzene;2-( S )-Bromomethyl-3-Methylbutyl Benzyl Ether;[[2-(bromomethyl)-3-methylbutoxy]methyl]-, (S)-benzene;

Molecular Formula: C13H19BrOMolecular Weight: 271.193360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ADRDHWGOETUEBH-CYBMUJFWSA-N

• Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
IUPAC Name: 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene | CAS Registry Number: 172900-69-5
Synonyms: 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene, AG-E-22303, (R)-4-(2-(BROMOMETHYL)-3-METHYLBUTYL)-1-METHOXY-2-(3-METHOXYPROPOXY)BENZENE, (R)-4-[2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene, SureCN4300111, CTK4D4409, ANW-48329, SBB070983, ZINC38548618, AKOS015851736, AKOS015888737, AK-33680, BR-33680, AM20090747, X0116, (2R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl bromide, Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-;

Molecular Formula: C17H27BrO3Molecular Weight: 359.298480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ICJBMWOVLFPLFP-HNNXBMFYSA-N

• Benzene, 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
IUPAC Name: 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene | CAS Registry Number: 324763-39-5
Synonyms: (R)-4-(2-(chloromethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene, 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene, AG-F-08585, PubChem20512, SureCN188718, CTK1C2240, 4-[(2R)-2-(CHLOROMETHYL)-3-METHYLBUTYL]-1-METHOXY-2-(3-METHOXYPROPOXY)-BENZENE, ANW-46428, SBB070964, ZINC38548617, AKOS015852573, AKOS015890623, PB13385, AK-86198, KB-188454, AM20090743, FT-0654047, X0245, I01-7215, 2-(3-methoxypropoxy)-4-[(R)-2-(chloromethyl)-3-methylbutyl]-1-methoxybenzene;Benzene,4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-;

Molecular Formula: C17H27ClO3Molecular Weight: 314.847480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OYYMMVGLRJVHEE-HNNXBMFYSA-N

• Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester
IUPAC Name: ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate | CAS Registry Number: 179688-26-7
Synonyms: Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate, 4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester, SureCN264575, Ethyl 4,5-bis(2-methoxyethoxy)-2-nitro-benzoate, CTK4D7356, MolPort-009-199-506, ANW-59584, SBB063310, ZINC38343034, AKOS015888609, AG-E-29984, QC-1092, AK-47956, KB-253189, FT-0656275, A812476, I01-1235, 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester;, Benzoic acid,4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester

Molecular Formula: C15H21NO8Molecular Weight: 343.329140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VOHOFZNVWZWVMA-UHFFFAOYSA-N

• Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
IUPAC Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid | CAS Registry Number: 137281-39-1
Synonyms: 4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid, 4-[2-(2-Amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, 4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoic acid, 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid, 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, SureCN207072, SureCN2260428, SureCN9046718, SureCN9046720, Jsp002251, CTK7E0994, CTK8B4306, MolPort-005-942-504, ANW-20226, ANW-44651, SBB066593, AKOS015897612, AG-A-70023, LS41213, RL01644

Molecular Formula: C15H14N4O3Molecular Weight: 298.296660 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: AIZPFZIKHIJCQX-UHFFFAOYSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Carbamic Acid, (7S)-5-Azaspiro[2.4]hept-7-Yl-, 1,1-Dimethylethyl Ester (9CI)
IUPAC Name: tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate | CAS Registry Number: 127199-45-5
Synonyms: (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate, (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane, (S)-7-N-Boc-Amino-5-aza-spiro[2.4]heptane, CARBAMIC ACID, (7S)-5-AZASPIRO[2.4]HEPT-7-YL-, 1,1-DIMETHYLETHYL ESTER, PubChem11456, SureCN2738139, CTK8C5060, MolPort-004-785-266, ANW-73906, PB13205, RL01358, AK-32307, AB1004288, KB-212038, A-1914, (S)-7-(BOC-AMINO)-5-AZASPIRO[2.4]HEPTANE, I14-13522, (7S)-5-AZASPIRO[2.4]HEPT-7-YLCARBAMIC ACID TERT-BUTYL ESTER, (S)-(5-AZA-SPIRO[2.4]HEPT-7-YL)-CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, (7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI)

Molecular Formula: C11H20N2O2Molecular Weight: 212.288700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CGEBPOMWRHSMLI-MRVPVSSYSA-N

• Carbamic acid, [(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(methoxymethylamino)carbonyl]-4-methylpentyl]-,1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-[(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate | CAS Registry Number: 866030-36-6
Synonyms: [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[ (methoxymethylamino)carbonyl]-4-methylpentyl]carbamic acid 1,1-dimethylethyl ester, [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(methoxymethylamino)carbonyl]-4-methylpentyl]carbamic acid 1,1-dimethylethyl ester

Molecular Formula: C26H44N2O7Molecular Weight: 496.636760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GWFZECPIAVGFPI-SFTDATJTSA-N

• Carbamic acid, N-[(1S,3S)-1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-[(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-1-oxohexan-2-yl]carbamate | CAS Registry Number: 172900-83-3
Synonyms: tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate, TERT-BUTYL [(1S,3S)-3-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-1-FORMYL-4-METHYLPENTYL]CARBAMATE, CTK0H3620, ANW-47953, AKOS015995241, AG-E-22308, AK-59931, BR-59931, KB-259924, X0113, (1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester, Carbamicacid, [(1S,3S)-1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-,1,1-dimethylethyl ester, [S-(R*,R*)]-;, tert-Butyl [(1S,3S)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-1-formyl-4 -methylpentyl]carbamate

Molecular Formula: C24H39NO6Molecular Weight: 437.569560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KFDRZNSEFRKMIT-PMACEKPBSA-N

• Cladribine
IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4291-63-8
Synonyms: Leustatin, Chlorodeoxyadenosine, Cladarabine, 2-Chlorodeoxyadenosine, 2-Chloro-2'-deoxyadenosine, Leustatin (TN), 2-CdA, 2 Chlorodeoxyadenosine, 2CdA, 2-Chloro-2'-deoxy-beta-adenosine, MLS000028377, MLS000028484, MLS000759397, MLS001077345, Cladribine (JAN/USAN/INN), Cladribine [USAN:BAN:INN], Cladribine [USAN:INN:BAN], Adenosine, 2-chloro-2'-deoxy, C10H12ClN5O3.C3H8, NSC 105014-F

Molecular Formula: C10H12ClN5O3Molecular Weight: 285.686980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PTOAARAWEBMLNO-KVQBGUIXSA-N

• Clofarabine
IUPAC Name: (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 123318-82-1
Synonyms: Clolar, Clofarex, Evoltra, Clofarabine [USAN], CAFdA, Clolar (TN), C1-F-Ara-A, Clofarabine (USAN/INN), 2-Cl-2'-F-araA, STOCK1N-71250, DB00631, LS-126466, D03546, 3S211048, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine, 2-Chloro-9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-9H-purin-6-amine, 9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine, CFB, (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Molecular Formula: C10H11ClFN5O3Molecular Weight: 303.677443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: WDDPHFBMKLOVOX-AYQXTPAHSA-N

• Cyclopentanol, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [1S-(1a,2b,3a,5b)]-
IUPAC Name: (2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-78-5
Synonyms: (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymethyl)cyclopentanol, CTK8E2646, AKOS015839300, AKOS015896675, RL01753, KB029209, FT-0688445, I06-2224, (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmet hyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymeth yl)cyclopentanol

Molecular Formula: C52H49N5O5Molecular Weight: 823.975960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZLWZEFPIJWNPCO-WCYZHHTASA-N

• Cyclopentanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2S,3S,5S)-
IUPAC Name: (1S,2S,3S,5S)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-77-4
Synonyms: (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol, SureCN2519691, CYC088, CYC089, CTK8B4566, MolPort-009-197-935, ANW-45489, RW2435, AKOS015896664, AG-D-83712, AM84384, AK-33259, KB-00819, FT-0649264, FT-0686412, R3-04, W3096, A807869, I06-2208, (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benz yloxy)-2-(benzyloxymethyl)cyclopentanol

Molecular Formula: C32H33N5O4Molecular Weight: 551.635520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: SYPCZZWUNIHLBU-COROXYKFSA-N

• D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
IUPAC Name: [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 149809-43-8
Synonyms: (5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester, CTK8E7411, FT-0675279, (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrof uran-3-ylmethyl ester, (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester, 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Molecular Formula: C21H21F2N3O4SMolecular Weight: 449.470946 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: DFWVLCJRFGIRAK-KKSFZXQISA-N

• Dasatinib
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide hydrate | CAS Registry Number: 863127-77-9
Synonyms: Dasatinib hydrate, Dasatinib hydrate (JAN), D06414

Molecular Formula: C22H28ClN7O3SMolecular Weight: 506.020820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Emtricitabine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 143491-57-0
Synonyms: Emtriva, Coviracil, Racivir, Truvada, Mixture Name, dOTFC, Emtriva (TN), (-)-FTC, 2-FTC, (-)-.beta.-L-FTC, BW524W91, C8H10FN3O3S, DRG-0208, Emtricitabine (JAN/USAN/INN), HSDB 7337, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW-524W91, FTC, (-)-, AIDS004782

Molecular Formula: C8H10FN3O3SMolecular Weight: 247.246703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-N

• Entecavir
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-69-4
Synonyms: Baraclude, Entecavir [INN], Entecavir [USAN:INN], HSDB 7334, BMS 200475, CID170343, SQ 34676, NCGC00164563-01, LS-186647, LS-187009, LS-187784, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-

Molecular Formula: C12H15N5O3Molecular Weight: 277.279200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QDGZDCVAUDNJFG-PPSBICQBSA-N

• Entecavir Hydrate
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one hydrate | CAS Registry Number: 209216-23-9
Synonyms: Entecavir, Baraclude, Entecavir [USAN:INN], CID170342, SQ 34676, BMS 200475-01, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, monohydrate

Molecular Formula: C12H17N5O4Molecular Weight: 295.294480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: YXPVEXCTPGULBZ-JBDQBEHPSA-N

• Erlotinib
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula: C22H23N3O4Molecular Weight: 393.435720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Fludarabine
IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 75607-67-9
Synonyms: fludara, fludarabine phosphate, Fludura, Beneflur, FAMP, FaraAMP, fluoro-ara-AMP, Fludarabine monophosphate, 2-Fluoro-ARA AMP, Fludara (TN), 2-Fluoro-ara-AMP, F-ara-AMP, Ambap1079, Fludarabine 5'-monophosphate, 2-F-ara-AMP, C10H13FN5O7P, Fludarabine phosphate [USAN:BAN], NSC-312887, Fludarabine phosphate (JAN/USP), SHT-586

Molecular Formula: C10H13FN5O7PMolecular Weight: 365.211684 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Gefitinib
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula: C22H24ClFN4O3Molecular Weight: 446.902363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Gemcitabine HCL
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Hydrazinecarboxaldehyde, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-
IUPAC Name: N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide | CAS Registry Number: 170985-85-0
Synonyms: 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde, SureCN12186606, CTK4D3782, ANW-61792, AKOS016002863, AG-E-20299, AK-28880, KB-226297, FT-0647545, N'-((2S,3S)-2-(Benzyloxy)pentan-3-yl)formohydrazide, 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarbaldehyde, [S-(R*,R*)]-2-[1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde, 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxal dehyde, Hydrazinecarboxaldehyde,2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]- (9CI), Hydrazinecarboxaldehyde,2-[1-ethyl-2-(phenylmethoxy)propyl]-, [S-(R*,R*)]-;N'-[(2S,3S)-2-(benzyloxy)pentan-3-yl]formic hydrazide;

Molecular Formula: C13H20N2O2Molecular Weight: 236.310100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LNEGZKZTVLXZFX-AAEUAGOBSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• L-Thymidine
IUPAC Name: 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3424-98-4
Synonyms: Telbivudine, Epavudine, Telbivudin, Tyzeka, beta-L-Thymidine, L-Deoxythymidine, L-dT, Sebivo, 2'-Deoxy-L-thymidine, Telbivudine[USAN], Telbivudine [USAN], NV-02B, LDT600, NB 02B, NV 02B, LDT-600, AIDS112549, AIDS-112549, ZINC00002159, DB01265

Molecular Formula: C10H14N2O5Molecular Weight: 242.228560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: IQFYYKKMVGJFEH-CSMHCCOUSA-N

• Lamivudine
IUPAC Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 134678-17-4
Synonyms: lamivudine, lamavudine, AZT + 3TC combination, (+)-SddC, MLS001055352, AIDS005244, AIDS-005244, CID73339, ZINC00015629, (+)-3TC, (+)-2',3'-Dideoxy-3'-thiacytidine, (+)-BCH 189, (+)-BCH-189, NCGC00090679-01, SMR000673568, (+)-(2S,5R)-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, 134680-32-3, 4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, (2S-cis)-4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 4-amino-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-

Molecular Formula: C8H11N3O3SMolecular Weight: 229.256240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JTEGQNOMFQHVDC-RQJHMYQMSA-N

• Lapatinib
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula: C29H26ClFN4O4SMolecular Weight: 581.057543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Pemetrexed
IUPAC Name: (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 137281-23-3
Synonyms: Alimta, Pemetrexed disodium, Pemetrexed [INN:BAN], UNII-04Q9AIZ7NO, HSDB 7316, C20H21N5O6, CID60843, LY231514, DB00642, LY 231514, LY 231,514, LS-172988, LY-231514, LY-231,514, L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid, (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid, MTA

Molecular Formula: C20H21N5O6Molecular Weight: 427.410640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: WBXPDJSOTKVWSJ-CYBMUJFWSA-N

• Pemetrexed Disodium
IUPAC Name: (2S)-2-[[4-[2-[2-amino-4-oxo-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 150399-23-8
Synonyms: AIDS096718, AIDS-096718, NCGC00164627-01, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrimidin-5-yl)ethyl]benzoyl]-glutamic acid

Molecular Formula: C27H27N5O6Molecular Weight: 517.533180 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: RXMOUCBSRHJOCG-FQEVSTJZSA-N

• Pemetrexed Disodium Hydrate
IUPAC Name: tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate | CAS Registry Number: 357166-30-4
Synonyms: Pemetrexed disodium hydrate, Pemetrexed disodium 2.5 hydrate, AKOS016005851, AK-59615, V2356, N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt hydrate

Molecular Formula: C40H48N10Na4O17Molecular Weight: 1032.824997 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 17

InChIKey: ZCTCZKWJFTYNMZ-WKUCUCPSSA-J

• Phenol, 4-[4-(4-aminophenyl)-1-piperazinyl]-
IUPAC Name: 4-[4-(4-aminophenyl)piperazin-1-yl]phenol | CAS Registry Number: 74853-08-0
Synonyms: 1-(4-Aminophenyl)-4-(4-hydroxyphenyl)piperazine, SureCN3055201, AGN-PC-0D6601, CTK8B4374, MolPort-003-987-204, ANW-44867, ZINC21300104, AKOS015902858, AK-40688, AB1008556, KB-147110, TL8005143, FT-0659398, ST51051500, I14-1957

Molecular Formula: C16H19N3OMolecular Weight: 269.341560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WZIJMPVPOMTRNM-UHFFFAOYSA-N

• Posaconazole
IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one | CAS Registry Number: 171228-49-2
Synonyms: Spriafil, Noxafil, Posaconazole SP, Sch 56592, SCH-56592, AIDS058495, AIDS-058495, SCH56592, 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one, PCZ, POS

Molecular Formula: C37H42F2N8O4Molecular Weight: 700.777386 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

• Propanamide, 3-amino-2,2-dimethyl-
IUPAC Name: 3-amino-2,2-dimethylpropanamide | CAS Registry Number: 324763-51-1
Synonyms: 3-amino-2,2-dimethylpropanamide, 3-AMINO-2,2-DIMETHYLPROPIONAMIDE, 3-amino-2,2-dimethyl-propanamide, SBB069781, AG-F-08586, 3-Amino-2,2-dimethylpropionic acid amide, PubChem23758, AC1Q1NL0, CTK3J6183, MolPort-005-942-927, 3-Amino-2,2-dimethyl-propylamide, 3-Amino-2,2-dimethylpropanamide;, 3-Amino-2,2-dimethyl-propionamide, ANW-51538, AKOS009580115, LS40458, MCULE-6885361465, PB29404, RP19249, RP19251

Molecular Formula: C5H12N2OMolecular Weight: 116.161580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKQZJXVIXAPOPZ-UHFFFAOYSA-N

• Pyrazine,3,6-diethoxy-2,5-dihydro-2-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-(1-methylethyl)-, (2S,5R)-
IUPAC Name: (2S,5R)-3,6-diethoxy-2-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-propan-2-yl-2,5-dihydropyrazine | CAS Registry Number: 866030-33-3
Synonyms: (2S,5R)-3,6-DIETHOXY-2,5-DIHYDRO-2-[(2S)-2-[[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]METHYL]-3-METHYLBUTYL]-5-(1-METHYLETHYL)PYRAZINE, (2S,5R)-3,6-Diethoxy-2,5-dihydro-2-[(2S)-2-[[4-methoxy-3-(3-m ethoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-(1-methylethyl) pyrazine

Molecular Formula: C28H46N2O5Molecular Weight: 490.675240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: LOIFVBLCZZTFEX-JCYRPKCISA-N

• Sitafloxacin
IUPAC Name: 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 127254-12-0
Synonyms: Sitafloxacin [INN], DU 6859A, DU 6859, DU-6859, LS-184401, C11248, (-)-7-((7S)-Amino-5-azaspiro(2,4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxoq-3-uinolonecarboxylic acid, 3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(24)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, (1R-(1alpha(S*),2alpha))-, 7-((7S)-Amino-5-azaspiro(2,4)heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-cis-2-fluoro-1-cyclopropyl)-1,4-dihydro-4-oxoquinolone-3-carboxylic acid, 7-(7-Amino-5-azaspiro(2.4)heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid sesquihydrate, 155421-11-7, 163157-04-8, 167355-47-7

Molecular Formula: C19H18ClF2N3O3Molecular Weight: 409.814326 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: PNUZDKCDAWUEGK-RDWQBYKPSA-N

• Sorafenib
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 284461-73-0
Synonyms: Nexavar, sorafenibum, Sorafenib tosylate, Sorafenib [INN], nchembio.117-comp17, STOCK6S-50043, CHEBI:50924, K00597a, BAY 43-9006, BAY 439006, DB00398, NSC-724772, BAY-43-0006, BAY-43-9006, BAY-54-9085, NCGC00167488-01, LS-186067, LS-187021, LS-187788, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

Molecular Formula: C21H16ClF3N4O3Molecular Weight: 464.824950 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

• Sunitinib malate
IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid | CAS Registry Number: 341031-54-7
Synonyms: Sutent, Sutent (TN), Sunitinib malate [USAN], SU011248 L-malate salt, SU-11248 L-malate salt, PHA-290940AD, Sunitinib malate (JAN/USAN), SU-011248 L-malate salt, PNU-290940AD, SU010398, CID6456015, SU 011248, SU011248, LS-186078, SU-010398, TL8002546, D06402, Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)

Molecular Formula: C26H33FN4O7Molecular Weight: 532.561223 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-N

• Tenofovir
IUPAC Name: 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid | CAS Registry Number: 107021-12-5
Synonyms: Apropovir, 9-PMPA, C9H14N5O4P, 9-(2-Phosphonomethoxypropyl)adenine, 9-(2-Phosphonylmethoxypropyl)adenine, CID64987, LS-172029, ((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid, Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, 121149-89-1

Molecular Formula: C9H14N5O4PMolecular Weight: 287.212321 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SGOIRFVFHAKUTI-UHFFFAOYSA-N

• Tenofovir(PMPA)
IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid | CAS Registry Number: 147127-20-6
Synonyms: Tenofovir, Apropovir, D,L-Tenofovir, PMPA, GNA & Tenofovir, HHA & Tenofovir, Tenofovir disoproxil, (R)-PMPA, 9-PMPA, PMPA-(R), Tenofovir Disoproxil Fumarate, AIDS021800, AIDS224015, AIDS224022, AIDS-021800, AIDS-224015, AIDS-224022, CID464205, GS1278, DB00300

Molecular Formula: C9H14N5O4PMolecular Weight: 287.212321 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: SGOIRFVFHAKUTI-ZCFIWIBFSA-N

• 2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2R,4R)-
IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid | CAS Registry Number: 74863-84-6
Synonyms: argatroban, NCGC00164592-01, TL8005144, C04931, (2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid

Molecular Formula: C23H36N6O5SMolecular Weight: 508.634140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: KXNPVXPOPUZYGB-VSVYTNTFSA-N

• 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-
IUPAC Name: 2-amino-9-[(1S,3R,4R)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-81-0
Synonyms: 3',5'-Di-O-benzyl Entecavir, [1S-(1|A,3|A,4|A)]-2-Amino-1,9-dihydro-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-purin-6-one, 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-purin-6-one

Molecular Formula: C26H27N5O3Molecular Weight: 457.524280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KROVOOOAPHSWCR-FDFHNCONSA-N

• 9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-, [1S-(1a,3a,4b)]-
IUPAC Name: N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1S,3S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine | CAS Registry Number: 142217-80-9
Synonyms: 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine, CTK8B4393, ANW-44903, AKOS015896665, AK-72844, BR-72844, I06-2209, 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyph

Molecular Formula: C53H49N5O4Molecular Weight: 819.987260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: OXHGMTPGAFKZHK-SHRDPCBYSA-N

• 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide | CAS Registry Number: 302962-49-8
Synonyms: Dasatinib, Sprycel, BMS Dasatinib, Dasatinib [USAN], Dasatinib (USAN), nchembio.117-comp11, SPRYCEL (TN), BMS-354825, BMS354825, BMS 354825, CHEBI:49375, NSC732517, CID3062316, DB01254, NSC-732517, NCGC00181129-01, BCB03_000715, LS-186641, LS-187028, LS-187773

Molecular Formula: C22H26ClN7O2SMolecular Weight: 488.005540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

• 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, methyl ester, (2S,4E)-
IUPAC Name: methyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate | CAS Registry Number: 387353-77-7
Synonyms: (S,E)-Methyl 5-chloro-2-isopropylpent-4-enoate, CTK8B9237, ANW-62251

Molecular Formula: C9H15ClO2Molecular Weight: 190.667200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BHFJTVFRXXWPLV-QMMMGPOBSA-N


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