Shanghai Ennopharm Co., Ltd.

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Catalogue Products

ID	Product Name	CAS NO
EN000017	2-propylbenzene-1,3-diol	13331-19-6
EN000025	3-methoxy-4-nitrophenol	16292-95-8
EN000041	1-bromo-4-(difluoromethoxy)Benzene	5905-69-1
EN000055	methyl 3-cyano-4-hydroxybenzoate	156001-68-2
EN000058	4-(Difluoromethoxy)phenylboronic acid pinacol ester	887757-48-4
EN000063	4-ethoxy-5-isopropyl-2-methylbenzaldehyde	872183-70-5
EN000083	1-(3-chlorophenyl)acetone	14123-60-5
EN000088	2-(4-fluorophenoxy)ethanamine	6096-89-5
EN000094	1-(5-bromo-2-fluorophenyl)ethanone	198477-89-3

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• C-(4-trifluoromethyl-pyridin-3-yl)-methylamine

IUPAC Name: [4-(trifluoromethyl)pyridin-3-yl]methanamine | CAS Registry Number: 771580-70-2
Synonyms: (4-(trifluoromethyl)pyridin-3-yl)methanamine, [4-(Trifluoromethyl)pyridine-3-yl]methylamine, [4-(trifluoromethyl)pyridin-3-yl]methylamine, SBB052433, AG-H-08316, [4-(trifluoromethyl)-3-pyridyl]methylamine, [4-(trifluoromethyl)pyridin-3-yl]methanamine, 4-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANAMINE, PubChem19575, AC1MRU2F, SureCN507313, CTK5E3951, MolPort-001-777-606, ACT03876, RW3647, AKOS005063533, AB23112, QC-2266, RL04946, AK-28120

Molecular Formula:	C₇H₇F₃N₂	Molecular Weight:	176.139090 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BNOMILFMXFLECU-UHFFFAOYSA-N

• C-ISOXAZOL-5-YL-METHYLAMINE HYDROCHLORIDE

IUPAC Name: 1,2-oxazol-5-ylmethanamine hydrochloride | CAS Registry Number: 440099-32-1
Synonyms: 1-isoxazol-5-ylmethanamine hydrochloride, EN001145

Molecular Formula:	C₄H₇ClN₂O	Molecular Weight:	134.564180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PRNKBQWBHXELQZ-UHFFFAOYSA-N

• Carbamic acid, N-(4-aminobutyl)-N-methyl-, 1,1-dimethylethyl ester

IUPAC Name: tert-butyl N-(4-aminobutyl)-N-methylcarbamate | CAS Registry Number: 144222-23-1
Synonyms: N-Boc-N-Methyl-butane-1,4-diamine, tert-butyl 4-aminobutyl(methyl)carbamate, SBB054142, n-(4-aminobutyl)-n-methyl carbamic acid tert-butyl ester, (4-amino-butyl)-methyl-carbamic acid tert-butyl ester, N-(4-Aminobutyl)-N-methyl carbamic acid tert-butyl, AC1MBTFK, ACMC-209cs8, CTK7E8030, MolPort-000-150-967, ACT03168, n-(4-aminobutyl)-n-boc-methylamine, ANW-20838, tert-butyl 4-aminobutylmethylcarbamate, AKOS005258636, AC-2383, AG-C-19023, RP25952, AK-38987, BR-38987

Molecular Formula:	C₁₀H₂₂N₂O₂	Molecular Weight:	202.293880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CIZQQISFIQZTDF-UHFFFAOYSA-N

• Carbamic acid, N-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester

IUPAC Name: tert-butyl N-(4-bromopyridin-2-yl)carbamate | CAS Registry Number: 207799-10-8
Synonyms: tert-butyl 4-bromopyridin-2-ylcarbamate, 2-(Boc-amino)-4-bromopyridine, tert-Butyl (4-bromopyridin-2-yl)carbamate, Tert-butyl N-(4-bromopyridin-2-yl)carbamate, N-Boc-4-Bromo-2-amine-pyridine, SBB054267, AG-E-52525, tert-Butyl4-bromopyridin-2-ylcarbamate, PubChem21996, ACMC-209fe2, SureCN1133582, AGN-PC-00E0D7, CTK4E5085, MolPort-004-969-065, ACT10779, AB2730, ANW-24216, ZINC20358039, AKOS015892103, PB34352

Molecular Formula:	C₁₀H₁₃BrN₂O₂	Molecular Weight:	273.126420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IRRRVCLDPODLJG-UHFFFAOYSA-N

• Carbamic acid, N-(5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester

IUPAC Name: tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate | CAS Registry Number: 731018-54-5
Synonyms: tert-Butyl (5-fluorothiazol-2-yl)carbamate, CARBAMIC ACID, (5-FLUORO-2-THIAZOLYL)-, 1,1-DIMETHYLETHYL ESTER, tert-butyl 5-fluoro-1,3-thiazol-2-ylcarbamate, AGN-PC-00HM9G, Tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate, CTK5D7358, MolPort-004-785-490, ANW-67271, AKOS005258235, MCULE-5012411986, RP27119, AK-89470, EN001358, AB1010087, FT-0660422, I09-1870, (5-Fluoro-2-thiazolyl)carbamic acid 1,1-dimethylethyl ester, Carbamic acid,N-(5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester, Carbamic acid, (5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI), Carbamicacid, (5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI);2-(tert-Butoxycarbonylamino)-5-fluorothiazole; tert-Butyl(5-fluorothiazol-2-yl)carbamate

Molecular Formula:	C₈H₁₁FN₂O₂S	Molecular Weight:	218.248543 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VCMFSWGHVQKQGS-UHFFFAOYSA-N

• Carbomethoxymethylene triphenylphosphorane

IUPAC Name: methyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 2605-67-6
Synonyms: 157929_ALDRICH, (Carbomethoxymethylene)triphenylphosphorane, Methyl (triphenylphosphoranylidene)acetate, Methyl triphenylphosphoranylideneacetate, EINECS 220-018-4, NSC117573, NSC407395, Triphenyl(carbomethoxymethylene)phosphorane, NSC 117573, NSC 407395, NCGC00161084-01, Acetic acid, (triphenylphosphoranylidene)-, methyl ester, ST5406701, (Methoxycarbonylmethylene)triphenylphosphorane, (Triphenylphosphoranylidene)acetic acid methyl ester, ((Methoxycarbonyl)methylene)triphenylphosphorane, [(Methoxycarbonyl)methylene]triphenylphosphorane, METHOXYCARBONYL-METHYLENE-TRIPHENYL-PHOSPHORANE, InChI=1/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H

Molecular Formula:	C₂₁H₁₉O₂P	Molecular Weight:	334.348121 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NTNUDYROPUKXNA-UHFFFAOYSA-N

• Carbonic acid di-2-pyridyl ester

IUPAC Name: dipyridin-2-yl carbonate | CAS Registry Number: 1659-31-0
Synonyms: dipyridin-2-yl carbonate, Carbonic Acid Di-2-pyridyl Ester, Di-2-pyridyl Carbonate, ZINC02556815, AC1MBVPK, ACMC-1BO3V, SureCN450118, bis(pyridin-2-yl) carbonate, KSC497G9R, CTK3J7398, MolPort-002-498-014, ANW-22182, AKOS015840313, AG-E-15526, RL02135, AK-49458, BR-49458, EN002519, AB1011431, KB-251693

Molecular Formula:	C₁₁H₈N₂O₃	Molecular Weight:	216.192820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: GCSAXWHQFYOIFE-UHFFFAOYSA-N

• CDPPB

IUPAC Name: 3-cyano-N-(2,5-diphenylpyrazol-3-yl)benzamide | CAS Registry Number: 781652-57-1
Synonyms: mGluR5 Ligand, CDPPB, CHEBI:417154, IN1239, CID11245456, EN002594, 3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, C494553, 3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide

Molecular Formula:	C₂₃H₁₆N₄O	Molecular Weight:	364.399340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BKUIZWILNWHFHD-UHFFFAOYSA-N

• Cefotetan disodium

IUPAC Name: disodium (6R,7S)-7-[[4-(1-amino-3-oxido-1,3-dioxopropan-2-ylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS Registry Number: 74356-00-6
Synonyms: Yamatetan, Cefotan, Apatef, cefotetan sodium, Ceftenon, Darvilen, Cepan, CEFOTETAN DISODIUM, Cefotan (TN), Cefotetan disodium salt, ICI 156834 disodium, Cefotetan disodium [USAN], Cefotetan sodium (JAN), Cefotetan disodium (USP), C17H17N7O8S4.2Na, EINECS 277-834-9, CEFOTAN IN PLASTIC CONTAINER, YM 09330, ICI-156834, YM-09330

Molecular Formula:	C₁₇H₁₅N₇Na₂O₈S₄	Molecular Weight:	619.582640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: ZQQALMSFFARWPK-ZTQQJVKJSA-L

• Cefozopran hydrochloride

IUPAC Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[2,1-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride | CAS Registry Number: 113981-44-5
Synonyms: Firstcin, CID9578158

Molecular Formula:	C₁₉H₁₈ClN₉O₅S₂	Molecular Weight:	551.986520 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: NTJHUKMPVIFDNY-CZNPUCISSA-N

• Cefsulodin sodium

IUPAC Name: sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS Registry Number: 52152-93-9
Synonyms: Takesulin, cefsulodin sodium, Takesulin (TN), Prestwick_977, CEFSULODIN SODIUM SALT, Cefsulodin sodium salt hydrate, Cefsulodin sodium (JP15/USAN), NCGC00093718-01, EU-0100259, C13505, D02005, CFS

Molecular Formula:	C₂₂H₁₉N₄NaO₈S₂	Molecular Weight:	554.528030 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: REACMANCWHKJSM-DWBVFMGKSA-M

• Ceftezole sodium

IUPAC Name: sodium (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS Registry Number: 41136-22-5
Synonyms: ceftezole sodium, Falomesin, Celoslin, Alomen, Falomesin (TN), Celoslin (TN), Ceftezole Sodium (JAN), C13H11N8O4S3.Na, 26973-24-0 (Parent), CID170470, LS-150087, D01517, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, monosodium salt, (6R-trans)-, CTZ

Molecular Formula:	C₁₃H₁₁N₈NaO₄S₃	Molecular Weight:	462.462410 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: UGUMHWUOXWFPFH-JHQAJZDGSA-M

• Cefuzonam Sodium

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 82219-78-1
Synonyms: Cefuzonam, Cefuzoname, Cefuzonam (INN), Cefuzonam [INN], Cefuzonamum [Latin], TL8005443, D03432, (-)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-, (6R-(6alpha,7beta(Z)))-

Molecular Formula:	C₁₆H₁₅N₇O₅S₄	Molecular Weight:	513.594200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: CXHKZHZLDMQGFF-ZSDSSEDPSA-N

• CGP 57380

IUPAC Name: 3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine | CAS Registry Number: 522629-08-9
Synonyms: MNK1 Inhibitor, C0993_SIGMA, CGP57380, CGP-57380, IN1236, NSC741567, CID11644425, NCGC00162380-01, NCGC00162380-02, NCGC00162380-03, EN002593, C466997, BRD-K42500029-001-01-9, 4-Amino-5-(4-fluoroanilino)-pyrazolo[3,4-d]pyrimidine, N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Molecular Formula:	C₁₁H₉FN₆	Molecular Weight:	244.227763 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UQPMANVRZYYQMD-UHFFFAOYSA-N

• CHIR-124, (S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinuclidin-3-ylamino)quinolin-2(1H)-one

IUPAC Name: 4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one

Molecular Formula:	C₂₃H₂₂ClN₅O	Molecular Weight:	419.906680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VBIIUHUSFOLTIU-LJQANCHMSA-N

• chloro(fluoro)acetyl chloride

IUPAC Name: 2-chloro-2-fluoroacetyl chloride | CAS Registry Number: 359-32-0
Synonyms: Chlorofluoroacetyl chloride, Acetyl chloride, chlorofluoro-, 2-chloro-2-fluoroacetyl chloride, MolPort-001-775-883, CID3013861, EN001650

Molecular Formula:	C₂HCl₂FO	Molecular Weight:	130.933143 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VZJVRCWSIVAASQ-UHFFFAOYSA-N

• CHROMAN-3-YL-METHYLAMINE

IUPAC Name: [(3S)-3,4-dihydro-2H-chromen-3-yl]methylazanium | CAS Registry Number: 10185-46-3
Synonyms: ZINC04207369, ZINC04207371, CID7129596

Molecular Formula:	C₁₀H₁₄NO+	Molecular Weight:	164.224260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CLWNCRSSFMSHDL-QMMMGPOBSA-O

• Cimetidine

IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol hydrochloride | CAS Registry Number: 38585-62-5
Synonyms: 227420_ALDRICH, EINECS 254-021-7, 4-Methylimidazol-5-ylmethanolhydrochloride, 4-Methyl-5-imidazolemethanol hydrochloride, T5614881

Molecular Formula:	C₅H₉ClN₂O	Molecular Weight:	148.590760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N

• cinnolin-6-amine

IUPAC Name: cinnolin-6-amine | CAS Registry Number: 7637-27-6
Synonyms: MolPort-004-803-319, EN001258

Molecular Formula:	C₈H₇N₃	Molecular Weight:	145.161280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DYUQXKXLJOIFPP-UHFFFAOYSA-N

• cinnoline-4,8-diol

IUPAC Name: 8-hydroxy-1H-cinnolin-4-one

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HTBQASNHBLDFFE-UHFFFAOYSA-N

• cis-(Z)-Flupentixol dihydrochloride

IUPAC Name: 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol dihydrochloride | CAS Registry Number: 51529-01-2
Synonyms: Emergil, Flupentixol HCl, Prestwick_902, Flupentixol hydrochloride, FLUPENTIXOL DIHYDROCHLORIDE, Flupenthixol, dihydrochloride, F114_SIGMA, EINECS 219-321-4, cis-(Z)-Flupenthixol dihydrochloride, Flupentixol dihydrochloride (JAN), FX 703, MolPort-003-941-351, NSC 170952, Flupentixol dihydrochloride cis-(Z), CID5282483, NCGC00093921-01, N 7009, LS-153618, EU-0100528, D02236

Molecular Formula:	C₂₃H₂₇Cl₂F₃N₂OS	Molecular Weight:	507.439490 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: IOVDQEIIMOZNNA-MHKBYHAFSA-N

• cis-1,4-Dichloro-2-butene

IUPAC Name: (Z)-1,4-dichlorobut-2-ene | CAS Registry Number: 1476-11-5
Synonyms: cis-2,3-Dichlorobut-2-ene, CCRIS 2651, 2-Butene, 1,4-dichloro-, HSDB 5832, 195707_ALDRICH, 2-Butene, 1,4-dichloro-, (Z)-, 1,4-DICHLORO-cis-2-BUTENE, 2-Butene, 1,4-dichloro-, cis-, 2-Butene, 1,4-dichloro-, (2Z)-, EINECS 216-021-5, LS-188234, 764-41-0

Molecular Formula:	C₄H₆Cl₂	Molecular Weight:	124.996440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FQDIANVAWVHZIR-UPHRSURJSA-N

• CIS-2,5-DIMETHYLPIPERAZINE

IUPAC Name: (2S,5S)-2,5-dimethylpiperazine | CAS Registry Number: 6284-84-0
Synonyms: Dimethyl piperazine-cis, cis-2,5-Dimethylpiperazine, Piperazine, 2,5-dimethyl-, cis-, NSC3708, NSC5282, CID61380, InChI=1/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s

Molecular Formula:	C₆H₁₄N₂	Molecular Weight:	114.188760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NSMWYRLQHIXVAP-WDSKDSINSA-N

• cis-2-Amino-1-Cyclopentane Carboxylic Acid

IUPAC Name: (1R,2S)-2-aminocyclopentane-1-carboxylic acid | CAS Registry Number: 37910-65-9
Synonyms: Cispentacin, (1r,2s)-2-aminocyclopentanecarboxylic acid, (-)-Cispentacin, 122672-46-2, Antibiotic FR 109615, (-)-(1R,2S)-Cispentacin, FR 109615, (1R-cis)-2-Aminocyclopentanecarboxylic acid, Cyclopentanecarboxylic acid, 2-amino-, (1R,2S)-, Cyclopentanecarboxylic acid, 2-amino-, (1R-cis)-, cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic acid, cis-2-Amino-1-cyclopentanecarboxylic acid, Cis-Pentacin, cis-2-Amino-cyclopentanecarboxylic acid, (+/-)-Cispentacin, Cyclopentanecarboxylicacid, 2-amino-, (1R,2S)-, AC1L2JMM, AC1Q5QVH, SureCN85607, (-)-cis-2-ACPC

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.157040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JWYOAMOZLZXDER-UHNVWZDZSA-N

• Cis-2-Boc-Hexahydropyrrolo[3,4-C]pyrrole

IUPAC Name: tert-butyl (3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium-5-carboxylate | CAS Registry Number: 250275-15-1
Synonyms: ZINC04203029, ZINC16697164

Molecular Formula:	C₁₁H₂₁N₂O₂+	Molecular Weight:	213.296640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FYUVLZRRIRGSTE-DTORHVGOSA-O

• Cis-5-Boc-1H-Hexahydropyrrolo[3,4-B]pyrrole

IUPAC Name: tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate | CAS Registry Number: 180975-51-3
Synonyms: (cis)-5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole, AG-E-31067, AC1Q1MVV, SureCN1135431, CTK4D7768, cis-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, tert-butyl (3aR,6aR)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate, Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-, Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, cis-;cis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester;tert-Butyl cis-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;

Molecular Formula:	C₁₁H₂₀N₂O₂	Molecular Weight:	212.288700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NYGXZCRPVBPJTA-BDAKNGLRSA-N

• Clopidogrel hydrogen sulfate

IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate; sulfuric acid | CAS Registry Number: 120202-66-6
Synonyms: Plavix, Iscover, Clopidogrel bisulfate, Isocover, Isocover (TN), Clopidogrel hemisulfate, Plavix (TN), CLOPIDOGREL SULFATE, Clopidogrel hydrogensulfate, Clopidogrel Bisulfate [USAN], Clopidogrel sulfate (JAN), Clopidogrel bisulfate (USAN), SPECTRUM1503710, C16H16ClNO2S.H2O4S, SR 25990C, CID115366, PM-103, SR-25990C, DV-7314, LS-152396

Molecular Formula:	C₁₆H₁₈ClNO₆S₂	Molecular Weight:	419.900220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: FDEODCTUSIWGLK-RSAXXLAASA-N

• Clopyralid

IUPAC Name: 3,6-dichloropyridine-2-carboxylic acid | CAS Registry Number: 1702-17-6
Synonyms: Lontrel, Clopyralide, Huiloralid, Benzalox, Campaign, Cirtoxin, Cliophar, Matrigon, Transline, Versatill, Cyronal, Reclaim, Stinger, Format, Loncid, Shield, Crusader S, Clopiralid, CLOPYRALID, Lontrel L

Molecular Formula:	C₆H₃Cl₂NO₂	Molecular Weight:	191.999520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HUBANNPOLNYSAD-UHFFFAOYSA-N

• Cloricromen

IUPAC Name: ethyl 2-[8-chloro-3-(2-diethylaminoethyl)-4-methyl-2-oxochromen-7-yl]oxyacetate | CAS Registry Number: 68206-94-0
Synonyms: Cloricromene, Proendotel, 8-Chlorocarbochromen, Cloricromen [INN], Cloricromene [French], Cloricromenum [Latin], Cloricromen (INN), Cloricromeno [Spanish], AD 6 (pharmaceutical), AD 6, C20H26ClNO5, AD(6), AD-6, 8-chlorocarbochromen hydrochloride, CID68876, NCGC00165769-01, NCGC00165769-02, LS-11267, D07139, C025945

Molecular Formula:	C₂₀H₂₆ClNO₅	Molecular Weight:	395.877140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: GYNNRVJJLAVVTQ-UHFFFAOYSA-N

• Combretastatin A4

IUPAC Name: 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol | CAS Registry Number: 117048-59-6
Synonyms: Combretastatin A-4, trans-(E)-Combretastatin, From Combretum caffrum plant, Crc 87-09, Crc-98-09, CHEBI:148398, NSC609397, NSC613729, AIDS013343, NSC 609397, NSC 613729, NSC 817373, AIDS-013343, ZINC01611146, CID5386397, ND-2980, LS-186888, LS-187542, 3,4,5-Trimethoxy-3'-hydroxy-4'-methoxystilbene, 5-(3,4,5-trimethoxystyryl)-2-methoxyphenol

Molecular Formula:	C₁₈H₂₀O₅	Molecular Weight:	316.348400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HVXBOLULGPECHP-AATRIKPKSA-N

• Crizotinib

IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine | CAS Registry Number: 877399-52-5
Synonyms: PF-2341066, Xalkori, PF-02341066, PF 2341066, CHEBI:64310, 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine, (R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine, SB431542, SB 431542|, UNII-53AH36668S, (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 3-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1h-pyrazol-4-yl)pyridin-2-amine, 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE, VGH, Xalkori (TN), S1068_Selleck, PubChem19322, SureCN93829, PF-2341066,Crizotinib

Molecular Formula:	C₂₁H₂₂Cl₂FN₅O	Molecular Weight:	450.336683 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-N

• Cumylamine

IUPAC Name: 2-phenylpropan-2-amine | CAS Registry Number: 585-32-0
Synonyms: NSC66156, CID68509, alpha,alpha-Dimethylbenzenemethanamine, NSC 66156, Benzenemethanamine, alpha,alpha-dimethyl-

Molecular Formula:	C₉H₁₃N	Molecular Weight:	135.206220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KDFDOINBXBEOLZ-UHFFFAOYSA-N

• CX516

IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone | CAS Registry Number: 154235-83-3
Synonyms: Ampalex, BDP 12, 1-(6-Quinoxalinylcarbonyl)piperidine, CX 516, 1-(quinoxalin-6-ylcarbonyl)piperidine, CID148184, CX-516, Piperidine, 1-(6-quinoxalinylcarbonyl)-, LS-113469, C13675, 173047-75-1

Molecular Formula:	C₁₄H₁₅N₃O	Molecular Weight:	241.288400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N

• Cyclo(Gly-L-Pro)

IUPAC Name: (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | CAS Registry Number: 3705-27-9
Synonyms: Cyclo(pro-gly), Cyclo(glycylprolyl), Cyclo(prolylglycyl), Cyclo(pro-O-gly), 1w1p, MLS001049064, STOCK1N-05125, CHEBI:414234, MolPort-002-509-779, CID126154, ZINC00402826, EN001860, SMR000386902, CYCLO-(GLYCINE-L-PROLINE) INHIBITOR, (8aS)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (S)-Hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione, (S)-Hexahydropyrrolo(1,2-a)pyrazine-1,4-dione-4-17O, (8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, Pyrrolo(1,2-a)pyrazine-1,4-dione-4-170, hexahydro-, (S)-, Pyrrolo(1,2-a)pyrazine-1,4-dione-4-17O, hexahydro-, (S)-

Molecular Formula:	C₇H₁₀N₂O₂	Molecular Weight:	154.166500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OWOHLURDBZHNGG-YFKPBYRVSA-N

• Cyclo-(Pro-Gly)

IUPAC Name: 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | CAS Registry Number: 19179-12-5
Synonyms: Cyclo(glycylprolyl), Cyclo(gly-pro), Cyclo(gly-O-pro), Cyclo(glycyl-L-prolyl), CID193540, NSC615303, DB04541, Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-, Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-, (S)-, (8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione

Molecular Formula:	C₇H₁₀N₂O₂	Molecular Weight:	154.166500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OWOHLURDBZHNGG-UHFFFAOYSA-N

• Cyclobutanecarboxylic Acid, 3,3-Dimethoxy-

IUPAC Name: 3,3-dimethoxycyclobutane-1-carboxylic acid | CAS Registry Number: 332187-56-1
Synonyms: 3,3-dimethoxycyclobutanecarboxylic acid, 3,3-dimethoxycyclobutane-1-carboxylic acid, 3,3-dimethoxycyclobutanecarboxylicacid, SureCN3632875, CTK1C0758, MolPort-004-769-496, WT941, AKOS006343583, 3,3-Dimethoxycyclobutanecarboxylicacid;, AG-F-11903, PB19298, 3,3-Dimethoxy-cyclobutanecarboxylic acid, 3,3-dimethoxycyclobutane carboxylic acid, AK-37793, AM806993, Cyclobutanecarboxylicacid, 3,3-dimethoxy-, EN001431, KB-95419, KB-233883, A5927

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FUBIHPWDLJCHSB-UHFFFAOYSA-N

• Cyclohexanone, 4-hydroxy-

IUPAC Name: 4-hydroxycyclohexan-1-one | CAS Registry Number: 13482-22-9
Synonyms: 4-Hydroxycyclohexanone, 4-Hydroxy-cyclohexanone, 4-hydroxycyclohexan-1-one, SBB056283, AG-D-71212, p-Hydroxycyclohexanone, AC1LBWOD, 4-Oxocyclohexan-1-ol, SureCN148906, 4-hydroxy-cyclohexan-1-one, KSC497C5B, Jsp002121, CTK3J7150, MolPort-000-004-276, ACN-S003465, ANW-73866, RW3918, ZINC13542642, AKOS006344707, QC-3294

Molecular Formula:	C₆H₁₀O₂	Molecular Weight:	114.142400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BXBJZYXQHHPVGO-UHFFFAOYSA-N

• cyclopentane-1,3-dicarboxylic acid

IUPAC Name: cyclopentane-1,3-dicarboxylic acid | CAS Registry Number: 4056-78-4
Synonyms: Norcamphoric acid, 1,3-Cyclopentanedicarboxylic acid, MolPort-000-480-274, MolPort-000-975-004, HMS1659P09, CID107216, EN002499, LS-57945, F3161-0242

Molecular Formula:	C₇H₁₀O₄	Molecular Weight:	158.151900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LNGJOYPCXLOTKL-UHFFFAOYSA-N

• Cyclopentylacetone

IUPAC Name: 1-cyclopentylpropan-2-one | CAS Registry Number: 1122-98-1
Synonyms: 2-Propanone, 1-cyclopentyl-, NSC60396, CID136897, ZINC01690187, FR-1263

Molecular Formula:	C₈H₁₄O	Molecular Weight:	126.196160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YYJCNNFQNIAISZ-UHFFFAOYSA-N

• Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate

IUPAC Name: methyl 1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid | CAS Registry Number: 862273-27-6
Synonyms: AGN-PC-009CG7, A841582, 1-amino-2-ethenyl-1-cyclopropanecarboxylic acid methyl ester; 4-methylbenzenesulfonic acid, methyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid, methyl 1-azanyl-2-ethenyl-cyclopropane-1-carboxylate; 4-methylbenzenesulfonic acid

Molecular Formula:	C₁₄H₁₉NO₅S	Molecular Weight:	313.369360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: IUHJYIOSAPJUMG-UHFFFAOYSA-N

• Cyclopropanemethylamine hydrochloride

IUPAC Name: cyclopropylmethanamine hydrochloride | CAS Registry Number: 7252-53-1
Synonyms: A63805_ALDRICH, (Cyclopropylmethyl)ammonium chloride, CID81671, EINECS 230-668-0, (Aminomethyl)cyclopropane hydrochloride

Molecular Formula:	C₄H₁₀ClN	Molecular Weight:	107.581900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: HXSNGAHNYZBZTH-UHFFFAOYSA-N

• Cyclopropyl-acetic acid

IUPAC Name: 2-[[(1,3-dimethyl-1,3,2-diazaborolidin-2-yl)imino-$l^{4}-sulfanylidene]amino]-1,3-dimethyl-1,3,2-diazaborolidine | CAS Registry Number: 5239-82-7
Synonyms: NSC353881, CID337114, 77936-64-2

Molecular Formula:	C₈H₂₀B₂N₆S	Molecular Weight:	253.971600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: BXXOHRWKRXBZTG-UHFFFAOYSA-N

• Cytarabine

IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 147-94-4
Synonyms: cytarabine, Arabinocytidine, Cytarabin, Cytosine arabinoside, Arabinosylcytosine, Ara-C, Cytarabinoside, Aracytidine, Cytarabina, Aracytin, Tarabine, Cytosar, Depocyt, Alexan, Udicil, Spongocytidine, Arabitin, Aracytine, Arafcyt, Cytosine arabinose

Molecular Formula:	C₉H₁₃N₃O₅	Molecular Weight:	243.216620 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N

• D241 4-Chloro-2,6-Dimethyl-Pyrimidine

IUPAC Name: 4-chloro-2,6-dimethylpyrimidine | CAS Registry Number: 4472-45-1
Synonyms: 4-chloro-2,6-dimethylpyrimidine, ZINC02559906, 4-Chloro-2,6-dimethyl-pyrimidine, BB_SC-6185, ALBB-005431, STK503406, CID3154199, BAS 06504040, AC-907/25004546

Molecular Formula:	C₆H₇ClN₂	Molecular Weight:	142.586180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GSXFOGXQLRLSKK-UHFFFAOYSA-N

• DAB.4HCl

IUPAC Name: 4-(3,4-diaminophenyl)benzene-1,2-diamine tetrahydrochloride | CAS Registry Number: 7411-49-6
Synonyms: 3,3'-Diaminobenzidine-4HCl, HSDB 5079, D3939_SIGMA, D5905_SIGMA, D6815_SIGMA, D7679_SIGMA, D5637_SIAL, D9015_SIAL, 3,3'-Diaminobenzidine hydrochloride, EINECS 231-018-9, NSC 75650, 3,3',4,4'-Tetraaminobiphenyl.4HCl, 3,3'-Diammoniumbenzidinium tetrachloride, 3,3'-Diaminobenzidine, tetrahydrochloride, LS-7714, 3,3'-DIAMINOBENZIDINE TETRAHYDROCHLORIDE, 3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride, 3,3',4,4'-Biphenyltetramine tetrahydrochloride, ST5411266, 3,3',4,4'-Biphenyltetramine, tetrahydrochloride

Molecular Formula:	C₁₂H₁₈Cl₄N₄	Molecular Weight:	360.110120 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	4

InChIKey: KJDSORYAHBAGPP-UHFFFAOYSA-N

• Dactolisib

IUPAC Name: 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile | CAS Registry Number: 915019-65-7
Synonyms: NVP-BEZ235, BEZ235, BEZ-235, NVP-BEZ 235, BEZ 235, NVPBEZ235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, NVP BEZ235, S1009_Selleck, Kinome_2911, NVP-BEZ-235, CHEBI:71952, MolPort-005-737-784, NVP-BEZ235, BEZ235, ZINC24760115, ST51056474, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, S14-0511, dactolisib, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

Molecular Formula:	C₃₀H₂₃N₅O	Molecular Weight:	469.536520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N

• DCEBIO

IUPAC Name: 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one | CAS Registry Number: 60563-36-2
Synonyms: Tocris-1422, Lopac-D-9190, Lopac0_000434, MLS002153394, D9190_SIGMA, CID656765, NCGC00015382-01, NCGC00015382-03, NCGC00015382-05, NCGC00025157-01, NCGC00025157-02, NCGC00025157-03, EN000162, SMR001230775, C13844, EU-0100434, D 9190, 5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, BRD-K32526544-001-01-2, 5,6-Dichloro-1-ethyl-1,3-dihydro- 2H-benzimidazol-2-one

Molecular Formula:	C₉H₈Cl₂N₂O	Molecular Weight:	231.078620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LKHRMULASXZCLG-UHFFFAOYSA-N

• debutylbupivacaine

IUPAC Name: N-(2,6-dimethylphenyl)piperidine-2-carboxamide | CAS Registry Number: 15883-20-2
Synonyms: Debutylbupivacaine, Demethylmepivacaine, Desbutylbupivacaine, N-Desbutylbupivacaine, 2',6'-Pipecoloxylidide, 2',6'-Pipecolylxylidine, BRN 0206391, CID115282, 2',6'-Pipecoloxylidide (6CI,7CI,8CI), BBV-083501, LS-114552, N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide, Piperidine-2-carboxylic acid 2,6-dimethylanilide, 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-, 4-22-00-00098 (Beilstein Handbook Reference)

Molecular Formula:	C₁₄H₂₀N₂O	Molecular Weight:	232.321400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SILRCGDPZGQJOQ-UHFFFAOYSA-N

• decahydro-2,7-naphthyridine

IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine | CAS Registry Number: 885270-20-2
Synonyms: EN001663

Molecular Formula:	C₈H₁₆N₂	Molecular Weight:	140.226040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XVBWSIVJQVABMM-UHFFFAOYSA-N

• Decanamide, 2-(hexylthio)-N-(6-(methyl-2,4-bis(methylthio)-3-pyridinyl)-, (S)-

IUPAC Name: (2S)-2-hexylsulfanyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]decanamide

Molecular Formula:	C₂₄H₄₂N₂OS₃	Molecular Weight:	470.798080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XAMYAYIMCKELIP-FQEVSTJZSA-N