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Shanghai Yingxuan Chempharm Co., Ltd.

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Address: Shanghai Jiao Tong University(SJTU) Jin Qiao Science Park,No.2588,Jinhai Road,Pudong New District, Shanghai, Pudong 201209, China
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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

201 to 250 of 325 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 3 4 [5] 6 7 >> Next 50 Results
• Panobinostat
IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide | CAS Registry Number: 404950-80-7
Synonyms: Faridak, LBH-589, NVP-LBH-589, LBH-589B, LBH589, LBH 589, ZINC22010649, CID6918837, 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-

Molecular Formula: C21H23N3O2Molecular Weight: 349.426220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N

• Paricalcitol
IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol | CAS Registry Number: 131918-61-1
Synonyms: Zemplar, Paracalcin, Paricalcitol [USAN], Compound 49510, Zemplar (TN), Compound-49510, Paricalcitol (USAN/INN), Abbott brand of paricalcitol, 19-Nor-1alpha,25-dihydroxyvitamin D2, CHEBI:7931, 19-Nor-1,25-(OH)2D2, HSDB 7360, ABT-358, C27H44O3, Ab 122358, DB00910, 19-Nor-1-alpha,25-dihydroxyvitamin D2, LS-172812, C08127, D00930

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

• PD0325901
IUPAC Name: N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | CAS Registry Number: 870474-62-7
Synonyms: 391210-10-9, PD 0325901, PD-0325901, S1036_Selleck, PD325901, PD 325901, PD-325901, CHEMBL507361, ZINC03938683, (R)-N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide, (R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE, N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, DB07101, NCGC00189075-01, S06-0029, N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, 4BM, CID9826528, nchembio.282-comp3, PubChem22394

Molecular Formula: C16H14F3IN2O4Molecular Weight: 482.193040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: SUDAHWBOROXANE-SECBINFHSA-N

• PD318088
IUPAC Name: 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | CAS Registry Number: 391210-00-7
Synonyms: PD 318088, PD-318088, S1568_Selleck, AGN-PC-01LTJY, C16H13BrF3IN2O4, cc-457, MolPort-006-168-845, BCPP000120, BCP9001066, CS-0222, RL03489, NCGC00346552-01, HY-12062, PD318088-Supplied by Selleck Chemicals, X7397, PD 318088, 391210-00-7, PD318088|391210-00-7|PD-318088, 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide, 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-, 5-bromo-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

Molecular Formula: C16H13BrF3IN2O4Molecular Weight: 561.089100 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: XXSSGBYXSKOLAM-UHFFFAOYSA-N

• Pelitinib
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 257933-82-7
Synonyms: EKB-569, Pelitinib (USAN/INN), WAY-EKB 569, WAY-EKB-569, CHEBI:38927, EKB 569, NSC729742, CID6445562, WAY-172569, D05399, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide,, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, 2-Butenamide, N-[4-(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl-4-(dimethylamino)-, (E)-,, 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

Molecular Formula: C24H23ClFN5O2Molecular Weight: 467.923123 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N

• Peramivir
IUPAC Name: (1S,2S,3S,4R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid | CAS Registry Number: 229614-55-5
Synonyms: UNII-QW7Y7ZR15U, BCX1812, CHEBI:292932, BCX 1812, CID151164, RWJ270201, RWJ 270201, RWJ-270201, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, 3-(1'-acetylamino-2'-ethyl)butyl-4-((aminoimino)methyl)amino-2-hydroxycyclopentane-1-carboxylic acid, 330600-85-6, BCZ, Cyclopentanecarboxylic acid, 3-((1S)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1S,2S,3R,4R)-

Molecular Formula: C15H28N4O4Molecular Weight: 328.407220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: XRQDFNLINLXZLB-GKWMMFDUSA-N

• Peramivir
IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid | CAS Registry Number: 330600-85-6
Synonyms: Rapiacta, BCX-1812, CHEBI:328354, AIDS114230, RWJ-270201, AIDS-114230, CID154234, S-021812, BCZ, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, 229614-56-6, Cyclopentanecarboxylic acid, 3-((1R)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1R,2R,3S,4S)-rel-, Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-

Molecular Formula: C15H28N4O4Molecular Weight: 328.407220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

• Perifosine
IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate | CAS Registry Number: 157716-52-4
Synonyms: Perifosine [INN], NKA17, KRX-0401, CID148177, NSC639966, NSC 639966, NSC-639966, D 21266, D-21266, octadecyl-(1,1-dimethyl-4-piperidylio)phosphate, C105905, 4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt, Piperidinium, 4-((hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethyl-, inner salt, Piperidinium, 4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt

Molecular Formula: C25H52NO4PMolecular Weight: 461.658441 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-N

• PICODRALAZINE
IUPAC Name: [4-(pyridin-4-ylmethyl)phthalazin-1-yl]hydrazine | CAS Registry Number: 17692-43-2
Synonyms: Picodralazine, Picodralazina, Picodralazinum, Picodralazinum [INN-Latin], Picodralazina [INN-Spanish], UNII-O9D004V63I, STOCK4S-99277, MolPort-002-628-318, CID71890, EINECS 241-684-2, ZINC00001943, NCGC00160509-01

Molecular Formula: C14H13N5Molecular Weight: 251.286520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KCASCYQNVLPVDP-UHFFFAOYSA-N

• Picroside II
Synonyms: Vanilloyl catalpol, 6-Vanilloylcatalpol, EINECS 254-247-6, CID3081484, 51014-55-2, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxy-3-methoxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Molecular Formula: C23H28O13Molecular Weight: 512.460620 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: AKNILCMFRRDTEY-UHFFFAOYSA-N

• Pictilisib
IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine | CAS Registry Number: 957054-30-7
Synonyms: GDC-0941, GDC0941, GDC 0941, Pictrelisib, S1065_Selleck, Kinome_3719, CHEMBL521851, 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine, CHEBI:65326, GDC-0941, GDC0941, 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine, GD9, 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine, 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine, Pictrelisib [INN], Pictilisib (USAN), PICTILISIB, PubChem16427, nchembio.293-comp12

Molecular Formula: C23H27N7O3S2Molecular Weight: 513.635580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: LHNIIDJUOCFXAP-UHFFFAOYSA-N

• PIK-75
IUPAC Name: N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide | CAS Registry Number: 372196-67-3
Synonyms: SureCN6219739, CTK8E6737, HMS3244E07, HMS3244E08, HMS3244F07, NCGC00346500-01

Molecular Formula: C16H14BrN5O4SMolecular Weight: 452.282460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: QTHCAAFKVUWAFI-UHFFFAOYSA-N

• Pilaralisib analogue
IUPAC Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide | CAS Registry Number: 956958-53-5
Synonyms: XL147, XL 147, SAR245408, XL-147, N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide, SAR 245408, N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide, XL 147, XL-147, 956958-53-5, N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamide, PubChem22457, cc-43, SureCN1792641, CHEBI:71957, MolPort-016-633-179, ABP000084, STL325024, XL147-Supplied by Selleck Chemicals, AKOS015842552, CS-0088, MCULE-9777093020

Molecular Formula: C21H16N6O2S2Molecular Weight: 448.520740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: MQMKRQLTIWPEDM-UHFFFAOYSA-N

• Pimavanserin
IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea | CAS Registry Number: 706779-91-1
Synonyms: 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea, AC-5273, ST51054136, I14-1981, CID10071196, 868855-07-6, SureCN675165, UNII-JZ963P0DIK, CTK6A8888, MolPort-008-155-976, DCL000930, AKOS015902593, AG-B-78949, RP07134, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, Y0393, A836958, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide

Molecular Formula: C25H34FN3O2Molecular Weight: 427.554763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RKEWSXXUOLRFBX-UHFFFAOYSA-N

• Pimecrolimus
Synonyms: Elidel, SDZ-ASM 981, 33-epi-Chloro-33-desoxyascomycin, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4R*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-

Molecular Formula: C43H68ClNO11Molecular Weight: 810.453120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: KASDHRXLYQOAKZ-OLHLVPFQSA-N

• Pitavastatin
IUPAC Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | CAS Registry Number: 147511-69-1
Synonyms: Pitavastatin [INN], NK 104, NCGC00164566-01, NCGC00164566-02, LS-187750, ( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid, (3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-

Molecular Formula: C25H24FNO4Molecular Weight: 421.460763 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: VGYFMXBACGZSIL-VAWYXSNFSA-N

• Pixantrone
IUPAC Name: 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione | CAS Registry Number: 144510-96-3
Synonyms: 6,9-Aea-biqdo, UNII-F5SXN2KNMR, Pixantrone (USAN/INN), CHEBI:380181, BBR 2778, CID134019, D05522, 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione, 5,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione, 6,9-Bis((2-aminoethyl)amino)benz(g)isoquinoline-5,10-dione, 6,9-Bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione, 6,9-Bis-(2-amino-ethylamino)-benzo[g]isoquinoline-5,10-dione, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-

Molecular Formula: C17H19N5O2Molecular Weight: 325.365060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: PEZPMAYDXJQYRV-UHFFFAOYSA-N

• Platycodin D
IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | CAS Registry Number: 58479-68-8
Synonyms: CID162859, LS-193714, Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-L-arabinopyranosyl ester, (2beta,3beta,16alpha)-

Molecular Formula: C57H92O28Molecular Weight: 1225.323580 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 28

InChIKey: CYBWUNOAQPMRBA-NDTOZIJESA-N

• Plx-4032
IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 1029872-54-5
Synonyms: Vemurafenib, Zelboraf, PLX-4032, RG7204, 918504-65-1, PLX4032, PLX 4032, UNII-207SMY3FQT, RO5185426, CHEBI:63637, RG-7204, RO-5185426, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, PLX4032, RG7204, RO5185426, 1029872-54-5, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, RG7204, R7204, RO5185426, PLX4032, PLX-4032, Zelboraf (TN), N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide

Molecular Formula: C23H18ClF2N3O3SMolecular Weight: 489.922126 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

• PLX-4720
IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 918505-84-7
Synonyms: PLX4720, PLX 4720, N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide, PLX 4720, PLX-4720, 918505-84-7, PLX4720, PLX-4720, N-(3-{5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, S1152_Selleck, PubChem19346, 3c4c, cc-4, UNII-EQY31RO8HA, SureCN133733, CHEMBL1230020, CTK5H0564, HMS3244C03, HMS3244C04, HMS3244D03, HMS3265I09, HMS3265I10

Molecular Formula: C17H14ClF2N3O3SMolecular Weight: 413.826166 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: YZDJQTHVDDOVHR-UHFFFAOYSA-N

• Pomalidomide
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | CAS Registry Number: 19171-19-8
Synonyms: Actimid, 4-Aminothalidomide, IMiD1, IMiD 3, UNII-D2UX06XLB5, IMID-4047, CDC-394, CHEBI:163100, CC-4047, CID134780, CC 4047, 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide, Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-, 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione, 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 4-Amino-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-, 443912-23-0, 443919-33-3

Molecular Formula: C13H11N3O4Molecular Weight: 273.244140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

• PP2
IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 172889-27-9
Synonyms: 1qpe, PP2 cpd, InSolution™ PP2, BiomolKI_000052, PP 2 (enzyme inhibitor), BiomolKI2_000058, Oprea1_738267, BSPBio_001118, KBioGR_000458, KBioSS_000458, MLS000326622, PP 2, Src family kinase inhibitor PP2, AG 1879, KBio2_000458, KBio2_003026, KBio2_005594, KBio3_000855, KBio3_000856, CID4878

Molecular Formula: C15H16ClN5Molecular Weight: 301.774040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N

• Praeruptorin B
IUPAC Name: [8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 81740-07-0
Synonyms: Anomalin, MolPort-001-891-995, BAS 00015449, CID5319259, 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9,10-diyl ester, (Z)-

Molecular Formula: C24H26O7Molecular Weight: 426.459040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: PNTWXEIQXBRCPS-FNCQTZNRSA-N

• Pristimerin
IUPAC Name: methyl (2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate | CAS Registry Number: 1258-84-0
Synonyms: Celastrol-methylether, Spectrum_001558, SpecPlus_000649, Spectrum2_000546, Spectrum3_001651, Spectrum4_001681, Spectrum5_000322, BSPBio_003401, KBioGR_001942, KBioSS_002038, DivK1c_006745, SPECTRUM1504181, SPBio_000591, MEGxp0_000269, ACon0_000836, KBio1_001689, KBio2_002038, KBio2_004606, KBio2_007174, KBio3_002621

Molecular Formula: C30H40O4Molecular Weight: 464.636200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JFACETXYABVHFD-WXPPGMDDSA-N

• Protopine
Synonyms: protopine, Corydinine, Macleyine, Fumarine, Biflorine, Alk-3, nchembio.105-comp25, Oprea1_718853, Oprea1_722246, HSDB 3527, PROTOPINE HYDROCHLORIDE, STOCK1N-10749, 6164-47-2 (hydrochloride), ACon1_001550, C20H19NO5, CHEBI:16415, EINECS 204-999-6, CID4970, MolPort-000-882-087, AIDS040935

Molecular Formula: C20H19NO5Molecular Weight: 353.368560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GPTFURBXHJWNHR-UHFFFAOYSA-N

• Psoralen
IUPAC Name: furo[3,2-g]chromen-7-one | CAS Registry Number: 66-97-7
Synonyms: Ficusin, Furocoumarin, Psoralene, Psorline-P, Phytoalexin, Psolaren, 6,7-Furanocoumarin, Furo(3,2-g)-coumarin, PHYTOALEXIN-CMPD, Furo[3,2-g]coumarin, 7H-Furo[3,2-g][1]benzopyran-7-one, CCRIS 4343, Furo(2',3',7,6)coumarin, Furo(4',5',6,7)coumarin, Furo[4',5':6,7]coumarin, Oprea1_841692, HSDB 3528, MLS001304059, P8399_SIGMA, 7H-Furo[3,2-g]chromen-7-one

Molecular Formula: C11H6O3Molecular Weight: 186.163540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N

• Pterostilbene
IUPAC Name: 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol | CAS Registry Number: 537-42-8
Synonyms: pterostilben, Pterocarpus marsupium, 3',5'-dimethoxy-resveratrol, MLS000759434, MLS000863581, P1499_SIGMA, 3',5'-Dimethoxy-4-stilbenol, 3,5-Dimethoxy-4'-hydroxystilbene, MEGxp0_000345, 3',5'-dimethoxy-4E-stilbenol, ACon1_000305, CHEBI:237532, MolPort-000-881-877, HMS2051B10, 3',5'-dimethoxy-4trans-stilbenol, CPD-6959, Pterostilbene, Pterocarpus marsupium, LMPK13090015, NSC613735, ZINC00899213

Molecular Formula: C16H16O3Molecular Weight: 256.296440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VLEUZFDZJKSGMX-ONEGZZNKSA-N

• Quizartinib
IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea | CAS Registry Number: 950769-58-1
Synonyms: AC-220, AC220, AC 220, AC010220, AC-220, AC220, AC220,Quizartinib, S1526_Selleck, AC220 - Quizartinib, SureCN72923, Quizartinib (USAN/INN), Quizartinib [USAN:INN], cc-62, UNII-7LA4O6Q0D3, CHEMBL576982, CHEBI:673133, BCPP000443, HMS3244K09, HMS3244K10, HMS3244L09, HMS3265G09

Molecular Formula: C29H32N6O4SMolecular Weight: 560.667180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CVWXJKQAOSCOAB-UHFFFAOYSA-N

• R-(?)-2-(4-Isobutylphenyl)propionyl Methansulphonamide L-Lysine Salt (CAS: 446024-42-6)
• R406
IUPAC Name: benzenesulfonate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-81-1
Synonyms: KB-80318

Molecular Formula: C28H28FN6O8S-Molecular Weight: 627.620723 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 14

InChIKey: UXDRJPYSTZHIOE-UHFFFAOYSA-M

• R406 free base
IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-80-0
Synonyms: R406(free base), R-406, 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One, 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one, R 406, 3fqs, 3piy, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, S1533_Selleck, Kinome_1211, PubChem22483, 841290-81-1, SureCN1200144, QCR-9, cc-243, AGN-PC-004I2D, CHEMBL475251, CTK5F1857, CHEBI:560144

Molecular Formula: C22H23FN6O5Molecular Weight: 470.453623 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

• R547
IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone | CAS Registry Number: 741713-40-6
Synonyms: R-547, 741713-40-6 pound not R 547, (4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone, [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone, (4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone, SureCN2397067, UNII-T61871RKRI, cc-270, CS-0022, RL04812, NCGC00346632-01, HY-10014, KB-36226, FT-0687511, R 547, RO-4584820, Y0369, R547|741713-40-6|R-547, 4-Amino-2-(1-methylsulfonylpiperidin-4-yl)aminopyrimidin-5-yl(2,3-difluoro-6-methoxyphenyl)methanone, 5-(2,3-difluoro-6-methoxybenzoyl)-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

Molecular Formula: C18H21F2N5O4SMolecular Weight: 441.452246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-N

• Raltegravir
IUPAC Name: N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | CAS Registry Number: 518048-05-0
Synonyms: Isentress, MK-0518, Isentress(TM), UNII-22VKV8053U, S2005_Selleck, CHEMBL254316, MK-518, N-(2-(4-(4-fluorobenzylcarbamoyl), AC-2062, MK 0518, NCGC00184997-01, AB1004864, D06676, K-0518, DSSTox_CID_28586, DSSTox_RID_82857, DSSTox_GSID_48660, I14-1973, CHEMBL1162988, 871038-72-1, Isentress, Raltegravir potassium, MK-518, D07133

Molecular Formula: C20H21FN6O5Molecular Weight: 444.416343 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: CZFFBEXEKNGXKS-UHFFFAOYSA-N

• Regadenoson
IUPAC Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide | CAS Registry Number: 313348-27-5
Synonyms: Lexiscan, Regadenoson (USAN/INN), Regadenoson [USAN:INN], UNII-2XLN4Y044H, CVT 3146, CVT-3146, CHEBI:262546, CID219024, LS-193008, D05711, Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-, (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide, 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide

Molecular Formula: C15H18N8O5Molecular Weight: 390.354020 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: LZPZPHGJDAGEJZ-AKAIJSEGSA-N

• Regadenoson hydrate
IUPAC Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide hydrate | CAS Registry Number: 875148-45-1
Synonyms: Lexiscan, CVT 3146

Molecular Formula: C15H20N8O6Molecular Weight: 408.369300 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: CDQVVPUXSPZONN-WPPLYIOHSA-N

• RepSox
IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine | CAS Registry Number: 446859-33-2
Synonyms: 1vjy, ALK5 Inhibitor II, CHEBI:406655, TGF-beta RI Kinase Inhibitor II, CID449054, IN1052, EN002636, 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine, 2-[3-(6-methylpyridin-2-yl)-2H-pyrazol-4-yl]-1,5-naphthyridine, Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor II, 2-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-[1,5]naphthyridine

Molecular Formula: C17H13N5Molecular Weight: 287.318620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Ro 25-6981
IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;but-2-enedioic acid | CAS Registry Number: 169274-78-6
Synonyms: KB-02364, (aR,bS)-a-(4-Hydroxyphenyl)-b-methyl-4-(phenylmethyl)-1-piperidinepropanol maleate

Molecular Formula: C26H33NO6Molecular Weight: 455.543320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: FYJZEHCQSUBZDY-OTCZLQCGSA-N

• Rocuronium bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula: C32H53BrN2O4Molecular Weight: 609.678220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• Ropinirole hydrochloride
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride | CAS Registry Number: 91374-20-8
Synonyms: ReQuip, Adartrel, Repreve, ReQuip CR, ReQuip LP, ReQuip XL, ReQuip XR, Requip (TN), JZP-7, C16H24N2O.HCl, Ropinirole hydrochloride [USAN], NVD-434, SK&F 101468-A, Ropinirole hydrochloride (JAN/USAN), SK&F-101468A, NCGC00094373-01, LS-83828, TL8005858, EU-0101101, D00784

Molecular Formula: C16H25ClN2OMolecular Weight: 296.835500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

• Salidroside
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol | CAS Registry Number: 10338-51-9
Synonyms: Rhodioloside, Rhodosin, Tyrosol glucoside, Ambap2363, Glucopyranoside, p-hydroxyphenethyl, MEGxp0_000478, ACon1_000366, CID159278, NCGC00169145-01, LS-71547, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, C06046, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside

Molecular Formula: C14H20O7Molecular Weight: 300.304400 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

• SB-431542
IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide | CAS Registry Number: 301836-41-9
Synonyms: SB 431542, SB431542, 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, SB-431542-A, Bio2_000852, S1067_Selleck, Kinome_3428, PubChem22438, SureCN155156, SureCN310028, AC1ND2U2, BSPBio_001064, KBioGR_000404, KBioSS_000404, CHEMBL440084, QCR-42, BCBcMAP01_000166, CTK8B8498, KBio2_000404, KBio2_002972

Molecular Formula: C22H16N4O3Molecular Weight: 384.387440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N

• Seliciclib
IUPAC Name: (2R)-2-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | CAS Registry Number: 186692-46-6
Synonyms: roscovitine, R-Roscovitine, (R)-roscovitine, Rosco, 2a4l, BiomolKI_000048, BiomolKI2_000054, CBiol_002016, Lopac0_001102, BSPBio_001078, KBioGR_000418, KBioSS_000418, InSolution™ Roscovitine, R7772_SIGMA, CYC 202, CYC-202, CYC202, BCBcMAP01_000013, KBio2_000418, KBio2_002986

Molecular Formula: C19H26N6OMolecular Weight: 354.449340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N

• Selumetinib
IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide | CAS Registry Number: 606143-52-6
Synonyms: AZD 6244, AZD6244, AZD-6244, ARRY-142886, 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, CHEMBL1614701, NCGC00189073-01, NCGC00189073-02, DSSTox_CID_28870, DSSTox_RID_83139, DSSTox_GSID_48944, 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide, CAS-606143-52-6, 1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-, 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-, PubChem21092, AZD 6244 Selumetinib, Selumetinib (USAN/INN), Array142886, AZD6244 - Selumetinib

Molecular Formula: C17H15BrClFN4O3Molecular Weight: 457.681403 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: CYOHGALHFOKKQC-UHFFFAOYSA-N

• Semagacestat
IUPAC Name: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide | CAS Registry Number: 425386-60-3
Synonyms: LY450139, LY-450139, LY 450139, (S)-2-hydroxy-3-methyl-N-((S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-yl)butanamide, (2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-METHYL-2-OXO-2-[[(1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL]AMINO]ETHYL]BUTANAMIDE, LY-450139, LY450139, Semagacestat, S1594_Selleck, PubChem20549, Semagacestat (USAN/INN), SureCN417581, cc-411, Semagacestat (LY450139), UNII-3YN0602W4W, CHEMBL520733, CTK8D4032, QCR-178, BCPP000174, ABP000262, AKOS015924574, BCP9000888

Molecular Formula: C19H27N3O4Molecular Weight: 361.435380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: PKXWXXPNHIWQHW-RCBQFDQVSA-N

• Semaxinib
IUPAC Name: (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one | CAS Registry Number: 204005-46-9
Synonyms: Semaxanib, Semoxind, nchembio778-comp2, Semaxanib (USAN/INN), SU 5416, methylene]-2H-indol-2-one, UNII-71IA9S35AJ, Lopac0_001110, SU5416, MLS001074896, MLS001332519, MLS001332520, S8442_SIGMA, TSU-16, CHEBI:112911, MolPort-003-959-606, HMS3229O13, SU-5416, HSCI1_000303, NSC696819

Molecular Formula: C15H14N2OMolecular Weight: 238.284460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: WUWDLXZGHZSWQZ-WQLSENKSSA-N

• Seocalcitol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 134404-52-7
Synonyms: Seocalcitol [INN:BAN], C30H46O3, EB 1089, EB-1089, EB1089, CID6435810, LS-56804, 1(S),3(R)-Dihydroxy-20(R)-(5'-ethyl-5'-hydroxyhepta-1'(E),3'(E)-dien-1'-yl)-9,10-secopregna-5(Z),7(E),10(19)-triene, 1,3-Cyclohexanediol, 5-((1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(1R*,2E,4E),3abeta,4E(1R*,3S*,5Z),7aalpha))-, 1,3-Cyclohexanediol, 5-((2E)-((1R,3aS,7aR)-1-((1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-, (5Z,7E,22E,24E)-24a,26a,27a-Trihomo-9,10-secocholesta-5,7,10(19),22,24-pentaene-1alpha,3beta,25-triol

Molecular Formula: C30H46O3Molecular Weight: 454.684440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LVLLALCJVJNGQQ-QMWUBLQMSA-N

• Sepantronium bromide
IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione;bromide | CAS Registry Number: 781661-94-7
Synonyms: YM-155, 4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide, UNII-7H5Q4J1CM5, CHEMBL2105734, MolPort-021-805-026, Sepantronium bromide (JAN/USAN), Sepantronium bromide [USAN:INN], BCPP000007, ABP000261, CS-0336, RL05028, HY-10194, KB-26636, FT-0660380, X7538, A25644, D10164, YM-155|781661-94-7|Sepantronium bromide|YM 155, 1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide, 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide

Molecular Formula: C20H19BrN4O3Molecular Weight: 443.293860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: QBIYUDDJPRGKNJ-UHFFFAOYSA-M

• Shikimic Acid
IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid | CAS Registry Number: 138-59-0
Synonyms: shikimic acid, shikimate, L-Shikimic acid, 2aay, (-)-Shikimic acid, Bracken fern toxic component, Spectrum_001232, 1we2, 2aa9, SpecPlus_000488, Spectrum2_001508, Spectrum3_001541, Spectrum4_001853, Spectrum5_000386, CCRIS 7681, HSDB 3537, BSPBio_002982, KBioGR_002287, KBioSS_001712, DivK1c_006584

Molecular Formula: C7H10O5Molecular Weight: 174.151300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: JXOHGGNKMLTUBP-HSUXUTPPSA-N

• SKF-82958
IUPAC Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | CAS Registry Number: 80751-65-1
Synonyms: Cl-Apb, Chloro-APB hydrobromide, Skf-82958, Biomol-NT_000069, C19H20ClNO2, Lopac0_000392, BPBio1_001362, SK&F 82958, CID1225, CHEBI:150187, SKF 82958, SK&F-82958, PDSP1_001515, PDSP2_001499, NCGC00015186-04, NCGC00162140-01, NCGC00162140-02, LS-27998, C071262, L000995

Molecular Formula: C19H20ClNO2Molecular Weight: 329.820600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HJWHHQIVUHOBQN-UHFFFAOYSA-N


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