Wuhan Vanz Pharm Inc.

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Profile: Wuhan Vanz Pharm Inc. specializes in APIs & intermediates. Pirenoxine is for treatment of senile cataracts, and diabetic cataract. It can also be used in the treatment of traumatic cataract and congenital cataract.

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• 1,3,6-Trioxacyclooctane

IUPAC Name: 1,3,6-trioxocane | CAS Registry Number: 1779-19-7
Synonyms: 1,3,6-TRIOXOCANE, Diethylene glycol formal, AC1L26F3, CTK0I0744, EINECS 217-215-2, AKOS006275644, AG-E-28143, KB-10248, FT-0690855, 1,3,6-Trioxacyclooctane;1,3,6-Trioxocin, tetrahydro-; Diethylene glycol formal; Diglycol formal

Molecular Formula:	C₅H₁₀O₃	Molecular Weight:	118.131100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AUAGGMPIKOZAJZ-UHFFFAOYSA-N

• 5-(2R)-2-Oxiranyl-8-benzyloxy-2(1H)-quinolinone

IUPAC Name: 5-[(2R)-oxiran-2-yl]-8-phenylmethoxy-1H-quinolin-2-one | CAS Registry Number: 173140-90-4
Synonyms: (R)-8-(Benzyloxy)-5-(oxiran-2-yl)quinolin-2(1H)-one, CTK0E4370, ANW-53409, AKOS015999467, AK-93362, KB-210250, FT-0686955, X6202, 2(1H)-Quinolinone, 5-(2R)-oxiranyl-8-(phenylmethoxy)-

Molecular Formula:	C₁₈H₁₅NO₃	Molecular Weight:	293.316600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IHJYYLJZVBVLEK-INIZCTEOSA-N

• 4-Amino-3-methoxybenzoic acid

IUPAC Name: 4-amino-3-methoxybenzoic acid | CAS Registry Number: 2486-69-3
Synonyms: 347027_ALDRICH, 4-Amino-3-methoxy-benzoic acid, NSC148472, CID288057, SBB008622, FR-2337, TL8002030, InChI=1/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11

Molecular Formula:	C₈H₉NO₃	Molecular Weight:	167.161960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JNFGLYJROFAOQP-UHFFFAOYSA-N

• 2-Chloro-3-Cyano Pyridine (CAS: 6606-54-6)

• 5-AMINO-4-CHLORO-O-CRESOL HCL

IUPAC Name: 5-amino-4-chloro-2-methylphenol;hydrochloride | CAS Registry Number: 110102-85-7
Synonyms: SureCN5269473, UNII-31J4UQW59L, 5-Amino-4-chloro-o-cresol hydrochloride, 5-Amino-4-chloro-o-cresol HCl [INCI], KB-73234, 2-Methyl-4-chloro-5-aminophenol hydrochloride, 5-amino-4-chloro-2-methylphenol hydrochloride, Phenol, 5-amino-4-chloro-2-methyl-, hydrochloride, Phenol, 5-amino-4-chloro-2-methyl-, hydrochloride (1:1)

Molecular Formula:	C₇H₉Cl₂NO	Molecular Weight:	194.058460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: KPBXDJZVHWRFLV-UHFFFAOYSA-N

• 7,8-DIHYDRO-7,8-DIHYDROXYBENZO[A]PYRENE 9,10-OXIDE

Synonyms: BPDE, anti-BP-diolepoxide, BDPE, BP diol epoxide anti, Benzo(a)pyrene diol epoxide, BPDE-II, (+-)-anti-BPDE, Benzo(a)pyrene diolepoxide I, Benzo(a)pyrene diolepoxide, CCRIS 795, benzo(a)pyrene diol epoxide 1, anti-Benzo(a)pyrene-diolepoxide, CCRIS 8053, Benzo(a)pyrene diol epoxide anti, BP 7,8-Diol-9,10-epoxide 2, CHEBI:30614, CID41322, (+/-)-Anti-benzo(a)pyrenediol epoxide, anti-Benzo(a)pyrene-7,8-diol-9,10-oxide, Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide

Molecular Formula:	C₂₀H₁₄O₃	Molecular Weight:	302.323360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DQEPMTIXHXSFOR-UHFFFAOYSA-N

• 7-METHOXY-3-METHYLQUINOXALIN-2(1H)-ONE

IUPAC Name: 7-methoxy-3-methyl-1H-quinoxalin-2-one | CAS Registry Number: 117237-99-7
Synonyms: AG-D-39043, 2(1H)-Quinoxalinone,7-methoxy-3-methyl-, ACMC-20mn2v, SureCN620809, CTK4B0190

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AAQWKOHIGOPTPD-UHFFFAOYSA-N

• 2-Hydroxybenzimidazole

IUPAC Name: 1,3-dihydrobenzimidazol-2-one | CAS Registry Number: 615-16-7
Synonyms: o-Phenyleneurea, 2-Benzimidazolol, 2-Benzimidazolone, 2-Oxobenzimidazole, 2H-Benzimidazol, 2-BENZIMIDAZOLINONE, 2(3H)-Benzimidazolone, Benzamidazole-2(3H)-one, 2(3H)-Oxobenzimidazole, 2(1H)-Benzimidazolone, N,N'-(1,2-Phenyleneurea), WLN: T56 BNVNJ, 2H-Benzimidazol-2-one, 1,3-dihydro-, H19859_ALDRICH, Urea, N,N'-(1,2-phenylene)-, 2-.alpha.-Hydroxybenzimidazole, EINECS 210-412-4, 1,3-Dihydro-2H-benzimidazol-2-one, NSC 10383, AIDS020300

Molecular Formula:	C₇H₆N₂O	Molecular Weight:	134.135340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: SILNNFMWIMZVEQ-UHFFFAOYSA-N

• 1H-Pyrrole-1-carboxamide, 4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methyl-4-piperidinyl]-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-, (2S)-

IUPAC Name: (5S)-3-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide | CAS Registry Number: 845256-65-7
Synonyms: ALR-3456, MK-0731, CHEMBL481931, (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, SCHEMBL367768, MYBGWENAVMIGMM-GIFXNVAJSA-N, DB08037, Y0331, Z-3217, (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide

Molecular Formula:	C₂₅H₂₈F₃N₃O₂	Molecular Weight:	459.503930 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: MYBGWENAVMIGMM-GIFXNVAJSA-N

• 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (S)-

IUPAC Name: (4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide | CAS Registry Number: 154127-42-1
Synonyms: AG-E-01977, (4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-, (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide, SureCN2631258, CTK4C8122, MolPort-005-940-986, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, ANW-44505, ZINC22002682, AKOS015897318, RL01975, (S)-4-Hydroxy-2-(3-methoxy-propyl)-, AK-93442, KB-80460, FT-0652537, ST51053549, X0075, I09-0606

Molecular Formula:	C₁₀H₁₆N₂O₆S₃	Molecular Weight:	356.438840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: UHIWBQIWXWWDKT-MRVPVSSYSA-N

• 7-(Methacryloylamino)-4-Trifluoromethylcoumarin

IUPAC Name: 2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide | CAS Registry Number: 480438-95-7
Synonyms: 7-[4-(Trifluoromethyl)coumarin]methacrylamide, N-(2-Oxo-4-(trifluoromethyl)-2H-chromen-7-yl)methacrylamide, AC1MOVOE, 566225_ALDRICH, CTK4J0599, 2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide, AG-F-63518, 7-(Methacryloylamino)-4-trifluoromethylcoumarin, 7-(Methacryloylamino)-4-(trifluoromethyl)coumarin, 2-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]prop-2-enamide, 2-PROPENAMIDE, 2-METHYL-N-[2-OXO-4-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-7-YL]-

Molecular Formula:	C₁₄H₁₀F₃NO₃	Molecular Weight:	297.229310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: UDIRYDKCHVDUQV-UHFFFAOYSA-N

• 2,6,10-DODECATRIENE,2,6,10-TRIMETHYL-

IUPAC Name: 2,6,10-trimethyldodeca-2,6,10-triene | CAS Registry Number: 7681-88-1
Synonyms: 2,6,10-Dodecatriene, 2,6,10-trimethyl-, 2,6,10-trimethyldodeca-2,6,10-triene, AC1NAE4I, AGN-PC-00NB9C, CTK1B4434, CTK1I7810, CTK1I7811, CTK2D2840, CTK2H5490, AG-H-06768, 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (E,E)-, 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (E,Z)-, 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (Z,E)-, 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (Z,Z)-, 3899-18-1, 61764-67-8, 63223-70-1, 63223-71-2

Molecular Formula:	C₁₅H₂₆	Molecular Weight:	206.366940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JXBSHSBNOVLGHF-UHFFFAOYSA-N

• 3,4-BIS(TRIFLUOROMETHYL)DITHIETE

IUPAC Name: 3,4-bis(trifluoromethyl)dithiete | CAS Registry Number: 360-91-8
Synonyms: 3,4-Bis(trifluoromethyl)-1,2-dithiete, NSC244335, CID136194

Molecular Formula:	C₄F₆S₂	Molecular Weight:	226.163219 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: YSIXKKRCABXBLQ-UHFFFAOYSA-N

• 3-(4-CHLORBUTYL)-1H-INDOL-5-CARBONITRIL

IUPAC Name: 3-(4-chlorobutyl)-1H-indole-5-carbonitrile | CAS Registry Number: 143612-79-7
Synonyms: 3-(4-chlorobutyl)-1H-indole-5-carbonitrile, 3-(4-Chlorbutyl)-1H-indol-5-carbonitril, SureCN3082624, CTK8B4377, MolPort-005-933-361, ANW-44873, CL3519, WTI-11918, ZINC22010755, AKOS015924756, LS20798, QC-1507, RP28041, AK-79876, BD227883, KB-69845, WT-130087, AM20020489, X6201, I10-1537

Molecular Formula:	C₁₃H₁₃ClN₂	Molecular Weight:	232.708720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NJJWMEJWFYRORL-UHFFFAOYSA-N

• 3-DEHYDRORETINOL

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol | CAS Registry Number: 79-80-1
Synonyms: Dehydroretinol, Vitamin A2, 3-Dehydoretinol, all-trans-3,4-Didehydroretinol, 3,4-Didehydro-all-trans-retinol, MolPort-003-846-185, EINECS 201-226-4, LMPR01090008, ZINC04215527, CID6436043

Molecular Formula:	C₂₀H₂₈O	Molecular Weight:	284.435720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XWCYDHJOKKGVHC-OVSJKPMPSA-N

• 4-[3-(TRIFLUOROMETHYL)DIAZIRIN-3-YL]BENZOIC ACID N-HYDROXYSUCCINIMIDE ESTER

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate | CAS Registry Number: 87736-89-8
Synonyms: AGN-PC-00KP9T, FT-0675533, (2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate, 4-[3-(Trifluoromethyl)diazirin-3-yl]benzoic Acid N-Hydroxysuccinimide Ester, 1-[[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl]oxy-2,5-pyrrolidinedione

Molecular Formula:	C₁₃H₈F₃N₃O₄	Molecular Weight:	327.215530 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: INRPFQHJCXWTGK-UHFFFAOYSA-N

• 1,13,3,5,56,6-Octamethyl-2,2-spiro(2,3-dihydro-1H-benzimidazole

IUPAC Name: 1,1',3,3',5,5',6,6'-octamethyl-2,2'-spirobi[benzimidazole] | CAS Registry Number: 99643-38-6
Synonyms: 1,1'3,3',5,5'6,6'-Octamethyl-2,2'-spiro(2,3-dihydro-1H-benzimidazole, 1,1'3,3',5,5'6,6'-Octamethyl-2,2'-spiro[2,3-dihydro-1H-benzimidazole, AC1L3QZR, 1,1',3,3',5,5',6,6'-octamethyl-2,2'-spirobi[benzimidazole]

Molecular Formula:	C₂₁H₂₈N₄	Molecular Weight:	336.473820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MTFYBWKFOIZUKS-UHFFFAOYSA-N

• 2,7-Octadienol

IUPAC Name: (2E)-octa-2,7-dien-1-ol | CAS Registry Number: 23578-51-0
Synonyms: 1-Octa-2,7-dienol, 2,7-OCTADIEN-1-OL, CID5365650, LS-97794

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

InChIKey: YHYGSIBXYYKYFB-VOTSOKGWSA-N

• (S)-6-Chloro-2-(3-Methoxypropyl)-3,4-Dihydro-2H-Thieno[3,2-E][1,2]thiazin-4-Ol 1,1-Dioxide

IUPAC Name: (4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol | CAS Registry Number: 160982-13-8
Synonyms: (S)-6-Chloro-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide, SureCN2726839, CTK4D0683, MolPort-005-940-985, ANW-64651, ZINC22002675, AG-E-10615, (S)-6-Chloro-2-(3-methoxy-propyl)-1, AK103600, KB-211619, (4S)-6-Chloro-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1,1-Dioxide, (S)-6-Chloro-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1,1-Dioxide, 2H-Thieno[3,2-e]-1,2-thiazin-4-ol,6-chloro-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4S)-, 2H-Thieno[3,2-e]-1,2-thiazin-4-ol,6-chloro-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (S)-;

Molecular Formula:	C₁₀H₁₄ClNO₄S₂	Molecular Weight:	311.805460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: FMNGDEKOOMHKNT-MRVPVSSYSA-N

• 2-BENZOFURANCARBOXYLIC ACID 5-AMINO-,ETHYL ESTER

IUPAC Name: ethyl 5-amino-1-benzofuran-2-carboxylate | CAS Registry Number: 174775-48-5
Synonyms: Ethyl 5-Amino-1-benzofuran-2-carboxylate, Ethyl 5-aminobenzofuran-2-carboxylate, SBB053980, 5-Amino-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-aminobenzo[b]furan-2-carboxylate, ethyl 5-aminobenzo[d]furan-2-carboxylate, PubChem23808, SureCN2255398, ethylaminobenzofurancarboxylate, KSC494O5F, CTK3J4752, MolPort-001-770-435, ANW-45651, WT2071, ZINC12336529, AKOS005072009, AG-B-21781, AM84613, LS40931, MCULE-2406800244

Molecular Formula:	C₁₁H₁₁NO₃	Molecular Weight:	205.209940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YFFLLDHEEWSHQG-UHFFFAOYSA-N

• 1,1'-BIPHENYL-2-ACETIC ACID

IUPAC Name: 2-(2-phenylphenyl)acetic acid | CAS Registry Number: 14676-52-9
Synonyms: 2-Biphenylacetic acid, biphenyl-2-ylacetic acid, 2-(2-phenylphenyl)acetic acid, [1,1'-Biphenyl]-2-acetic acid, AC1Q5VMG, SureCN538512, AC1L69KO, 1,1'-biphenyl-2acetic acid, [1,1'-Biphenyl]-2-aceticacid, CTK0I0099, [1,1'-Biphenyl]-2-ylacetic acid, NSC97781, ZERO/010541, AR-1H9876, NSC-97781, SBB051491, AKOS015995893, AG-D-91260, MCULE-9354083370, 2-([1,1'-Biphenyl]-2-yl)acetic acid

Molecular Formula:	C₁₄H₁₂O₂	Molecular Weight:	212.243880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YWPABLWXCWUIIT-UHFFFAOYSA-N

• 5-Nitro-2-(3-pyridinyl)benzimidazole

IUPAC Name: 6-nitro-2-pyridin-3-yl-1H-benzimidazole | CAS Registry Number: 145861-59-2
Synonyms: 5-Nitro-2-(3-pyridinyl)-1H-benzimidazole, 5-Nitro-2-pyridin-3-yl-1H-benzoimidazole, 1H-Benzimidazole,6-nitro-2-(3-pyridinyl)-, 5-nitro-2-(3-pyridyl)benzimidazole, 5-Nitro-2-(3-pyridyl)benzimidazole sulfate, ZERO/000540, AC1LDFDK, ACMC-1C1FM, AC1Q1Y5T, SureCN3333823, MLS001212396, CHEMBL159327, CTK4C4724, CTK5I3520, MolPort-001-823-101, HMS2843I22, SBB001543, STK752215, ZINC13118287, AKOS000634846

Molecular Formula:	C₁₂H₈N₄O₂	Molecular Weight:	240.217520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IIIXDDOCSBCSNQ-UHFFFAOYSA-N

• 4-chloro-5-(dimethylamino)-2-phenylpyridazin-3-one

IUPAC Name: 4-chloro-5-(dimethylamino)-2-phenylpyridazin-3-one | CAS Registry Number: 3707-98-0
Synonyms: San-9785, 4-Chloro-5-dimethylamino-2-phenyl-3(2H)-pyridazinone, 4-Chloro-5-dimethylamino-2-phenyl-2H-pyridazin-3-one, Sandoz 9785, AC1L2SR6, AC1Q3FZ9, Ambcb5350843, SureCN9397355, Oprea1_206448, Oprea1_550877, MLS000564568, Basf 13-338, San 9785, CTK4H7660, MolPort-001-942-313, HMS1583O16, HMS2550F14, AR-1G1693, ZINC00272104, AG-J-24418

Molecular Formula:	C₁₂H₁₂ClN₃O	Molecular Weight:	249.696180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HMJHBWNOBINIKP-UHFFFAOYSA-N

• 1,6-Naphthyridine-2-carboxylic acid ethyl ester

IUPAC Name: ethyl 1,6-naphthyridine-2-carboxylate | CAS Registry Number: 1005030-66-9
Synonyms: SureCN2445721

Molecular Formula:	C₁₁H₁₀N₂O₂	Molecular Weight:	202.209300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UVAPUKARAPRTTB-UHFFFAOYSA-N

• (S)-1-(2-Chloroacetyl)pyrrolidine-2-Carboxamide

IUPAC Name: (2S)-1-(2-chloroacetyl)pyrrolidine-2-carboxamide | CAS Registry Number: 214398-99-9
Synonyms: (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide, (2S)-1-(2-chloroacetyl)pyrrolidine-2-carboxamide, (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carboxylic acid amide, SureCN1239264, CTK6H4987, MolPort-016-579-081, ANW-53408, SBB091197, AKOS015850601, AKOS015996633, AG-C-82102, AK-93363, BD230881, KB-113647, KB-210602, FT-0686724, (S)-1-(2-Chloro-acetyl)pyrrolidine-2-carboxylic acid amide

Molecular Formula:	C₇H₁₁ClN₂O₂	Molecular Weight:	190.627440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YKDRUBGIBPCRBH-YFKPBYRVSA-N

• 7-Methoxy-1-Naphthaleneethanamine Hydrochloride

IUPAC Name: 2-(7-methoxynaphthalen-1-yl)ethanamine;hydrochloride | CAS Registry Number: 139525-77-2
Synonyms: 2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride, 2-(7-METHOXY-1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE, 1-Naphthaleneethanamine,7-methoxy-, hydrochloride (1:1), ACMC-209wsm, SureCN577758, AGN-PC-00S5UA, CTK4C1844, ANW-46772, 7-Methoxy-1-naphthaleneethanamine HCl, AKOS015902223, AG-D-79622, LS41042, AK-59047, KB-15286, AM20090761, 1-Naphthaleneethanamine, 7-methoxy-, hydrochloride, A807554, 2-(7-methoxy-1-naphthalenyl)ethanamine hydrochloride, I14-13154, I14-32733

Molecular Formula:	C₁₃H₁₆ClNO	Molecular Weight:	237.725240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HPYGZUDDGWEYDQ-UHFFFAOYSA-N

• (6S)-2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide

IUPAC Name: (6S)-2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-10-hydroxy-6-methyl-1,9-dioxo-6,7-dihydropyrazino[5,6]pyrrolo[1,3-b]pyridazine-4-carboxamide | CAS Registry Number: 870005-19-9
Synonyms: QCR-134, Y0373, Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, 2-[(3-chloro-4-fluorophenyl)methyl]-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-N,6-dimethyl-1,9-dioxo-, (6S)-

Molecular Formula:	C₂₂H₂₃ClFN₅O₄	Molecular Weight:	475.900523 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: DNABWGUFTZTVKA-NSHDSACASA-N

• 4,5-dihydro-N,1,4,4-tetramethyl-8-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide

IUPAC Name: N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide | CAS Registry Number: 802539-81-7
Synonyms: PHA-848125, PHA 848125, N,1,4,4-tetramethyl-8-(4-(4-methylpiperazin-1-yl)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, Milciclib, Milciclib [INN], cc-78, SureCN619139, Milciclib; PHA 848125, AGN-PC-014R6S, CHEMBL564829, PHA-848125 - Milciclib, MolPort-021-804-994, BCPP000109, UNII-688000M8S8, PHA848125, CS-0579, QC-2640, RL05091, NCGC00346673-01, HY-10424

Molecular Formula:	C₂₅H₃₂N₈O	Molecular Weight:	460.574580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: RXZMYLDMFYNEIM-UHFFFAOYSA-N

• 5-(1-piperazinyl)-2-Benzofurancarboxylic acid ethyl ester monohydrochloride

IUPAC Name: ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrochloride | CAS Registry Number: 765935-67-9
Synonyms: Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate hydrochloride, AGN-PC-005MBV, CTK8B6404, MolPort-005-933-362, ANW-53405, AKOS015999471, AK-93367, ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrochloride

Molecular Formula:	C₁₅H₁₉ClN₂O₃	Molecular Weight:	310.775960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: IQUHEEPSXHVIPO-UHFFFAOYSA-N

• 5-Chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-2-thiophenesulfonamide

IUPAC Name: 5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide | CAS Registry Number: 769169-27-9
Synonyms: Begacestat, GSI-953, Begacestat (USAN/INN), UNII-3666C56BBU, CHEMBL463981, GSI 953, FT-0669059, D08869, 5-Chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-2-thiophenesulfonamide

Molecular Formula:	C₉H₈ClF₆NO₃S₂	Molecular Weight:	391.738139 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: PSXOKXJMVRSARX-SCSAIBSYSA-N

• 3-Amino-1-Adamantanol

IUPAC Name: 3-aminoadamantan-1-ol | CAS Registry Number: 702-82-9
Synonyms: 3-Amino-1-adamantanol, 3-aminoadamantan-1-ol, 3-amino-1-hydroxyadamantane, 1-Amino-3-hydroxyadamantane, 1-amino-3-adamantanol, (5r,7s)-3-aminoadamantan-1-ol, CBDivE_015882, 3-azanyladamantan-1-ol, AC1LCZ5H, SureCN301876, 3-hydroxy-1-aminoadamantane, Oprea1_650197, KSC377C8B, 523690_ALDRICH, STOCK1S-63925, STOCK2S-12756, CTK2H7180, MolPort-002-501-412, ACN-S003695, ANW-35873

Molecular Formula:	C₁₀H₁₇NO	Molecular Weight:	167.248080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DWPIPTNBOVJYAD-UHFFFAOYSA-N

• 8-HYDROXY-5-(1-HYDROXY-2-(N-(2-(4-METHOXYPHENYL)-ISOPROPYL)AMINO)ETHYL)CARBOSTYRIL HCL

IUPAC Name: 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one hydrochloride | CAS Registry Number: 137888-11-0
Synonyms: Carmoterol hydrochloride, CHF-4226, CID63951, TA-2005, TA 2005, CHF 4226.01, LS-142795, 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, hydrochloride, (R-(R*,R*))-, 8-Hydroxy-5-((1R)-1-hydroxy-2-(N-(1R)-2-(p-methoxyphenyl)isopropylamino)ethyl)carbostyril HCl, 100429-08-1, 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, monohydrochloride, (R-(R*,R*))-, 8-Hydroxy-5-(1-hydroxy-2-(N-(2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)carbostyril hydrochloride

Molecular Formula:	C₂₁H₂₅ClN₂O₄	Molecular Weight:	404.887200 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: SYCWERNQGSKYAG-QVRIGTRMSA-N

• 2-(4-(2,5-DIFLUOROBENZYLOXY)PHENOXY)-5-ETHOXYBENZENAMINE

IUPAC Name: 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline | CAS Registry Number: 223104-29-8
Synonyms: SEA0400, SEA 0400, SEA-0400, AC1LD8JT, SureCN742344, CHEMBL332214, FD5010, CS-1068, QC-5030, HY-15515, KB-145961, 2-(4-(2,5-difluorobenzyloxy)phenoxy)-5-ethoxyaniline, SEA0400|223104-29-8|SEA-0400, 2-[4-[(2,5-difluorophenyl)methoxy]-phenoxy]-5-ethoxyaniline, 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline, 2-(4-((2,5-DIFLUOROBENZYL)OXY)PHENOXY)-5-ETHOXYANILINE, benzenamine, 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxy-, Benzenamine, 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxy- (9CI)

Molecular Formula:	C₂₁H₁₉F₂NO₃	Molecular Weight:	371.377266 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YSUBLPUJDOWYDP-UHFFFAOYSA-N

• 2-[(4-Bromomethyl)phenyl]pyridine

IUPAC Name: 2-[4-(bromomethyl)phenyl]pyridine | CAS Registry Number: 52199-24-3
Synonyms: 2-(4-BROMOMETHYLPHENYL)PYRIDINE, 257907-04-3, 2-(4-(Bromomethyl)phenyl)pyridine, 2-[4-(bromomethyl)phenyl]pyridine, AG-E-79736, SureCN676001, 4-(2-Pyridyl)benzyl Bromide, CTK1A1392, 2-(4-Bromomethyl)-benzylpyridine, MolPort-002-041-472, ANW-56391, ZINC08698267, AKOS015917496, Pyridine, 2-[4-(bromomethyl)phenyl]-;, AK105912, KB-14729, AB1005081, FT-0663790, A818024, I14-9553

Molecular Formula:	C₁₂H₁₀BrN	Molecular Weight:	248.118500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FCLQGHNSQXFQEG-UHFFFAOYSA-N

• (R)-5-[2-[(5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(phenylmethoxy)quinolin-2(1H)-one

IUPAC Name: 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one | CAS Registry Number: 435273-75-9
Synonyms: SureCN1221324, AKOS015999461, AK-93361, (R)-8-(Benzyloxy)-5-(2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)quinolin-2(1H)-one

Molecular Formula:	C₃₁H₃₄N₂O₃	Molecular Weight:	482.613260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: OTINTMLHLKCOBW-NDEPHWFRSA-N

• (S)-1-(2-Chloroacetyl)Pyrrolidine-2-Carbonitrile

IUPAC Name: (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile | CAS Registry Number: 207557-35-5
Synonyms: (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrile, SBB066751, (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carbonitrile, PubChem16324, SureCN605418, KSC201Q9R, Jsp004252, CTK1A1898, MolPort-004-760-290, ACT04998, ANW-47909, ZINC16697477, AKOS006291018, AKOS016015838, AB48307, AG-C-82100, AG-E-52276

Molecular Formula:	C₇H₉ClN₂O	Molecular Weight:	172.612160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YCWRPKBYQZOLCD-LURJTMIESA-N

• 4'-Bromo-[1,1'-biphenyl]-4-carboxaldehyde

IUPAC Name: 4-(4-bromophenyl)benzaldehyde | CAS Registry Number: 50670-58-1
Synonyms: 4'-BROMO-BIPHENYL-4-CARBALDEHYDE, 4-(4-bromophenyl)benzaldehyde, 4'-Bromo-[1,1'-biphenyl]-4-carbaldehyde, AC1LRCKM, PubChem10196, 4'-Bromo-4-formylbiphenyl, AMTDA048, MolPort-000-931-401, AKOS004116585, KB-189594, KB-190096

Molecular Formula:	C₁₃H₉BrO	Molecular Weight:	261.113960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AZDGDDGUHUQQMO-UHFFFAOYSA-N

• 5-(piperazin-1-yl)benzofuran-2-carboxamide

IUPAC Name: 5-piperazin-1-yl-1-benzofuran-2-carboxamide | CAS Registry Number: 183288-46-2
Synonyms: 5-(Piperazin-1-yl)benzofuran-2-carboxamide, 1-(2-Aminocarbonylbenzofuran-5-yl)piperazine, 2-Benzofurancarboxamide, 5-(1-piperazinyl)-, SureCN1322886, BEN783, CTK8B4376, ANW-44872, AKOS015998995, RL02335, AK-82278, BD227885, KB-73076, AM20120671, X3185

Molecular Formula:	C₁₃H₁₅N₃O₂	Molecular Weight:	245.277100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LLRGOAFFRRUFBM-UHFFFAOYSA-N

• 2,7-DIMETHYLINDOLE

IUPAC Name: 2,7-dimethyl-1H-indole | CAS Registry Number: 5621-13-6
Synonyms: Indole, 2,7-dimethyl-, 1H-Indole, 2,7-dimethyl-, NSC90446, QYAVCKAPGJSSRS-UHFFFAOYSA-, MolPort-003-910-476, CID259835, InChI=1/C10H11N/c1-7-4-3-5-9-6-8(2)11-10(7)9/h3-6,11H,1-2H3

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: QYAVCKAPGJSSRS-UHFFFAOYSA-N

• 1-(3-CHLOROPHENYL)-2-HYDROXY-1-PROPANONE

IUPAC Name: 1-(3-chlorophenyl)-2-hydroxypropan-1-one | CAS Registry Number: 152943-33-4
Synonyms: AGN-PC-01UCEI, SureCN2070613, CTK4C7635, AKOS011305887, AG-E-00410, KB-213779, FT-0664884, FT-0664885, FT-0664886, 1-Propanone, 1-(3-chlorophenyl)-2-hydroxy-

Molecular Formula:	C₉H₉ClO₂	Molecular Weight:	184.619560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PRVHLTNNKRCHGO-UHFFFAOYSA-N

• 2,5-Difluorobenzylbromide

IUPAC Name: 2-(bromomethyl)-1,4-difluorobenzene | CAS Registry Number: 85117-99-3
Synonyms: 2,5-Difluorobenzyl bromide, 2,2-Difluorobenzylbromide, 264423_ALDRICH, alpha-Bromo-2,5-difluorotoluene, EINECS 285-651-0, CID522830, SBB006680, 2-(Bromomethyl)-1,4-difluorobenzene, Benzene, 2-(bromomethyl)-1,4-difluoro-, TL8005564

Molecular Formula:	C₇H₅BrF₂	Molecular Weight:	207.015406 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ONWGSWNHQZYCFK-UHFFFAOYSA-N

• β-Cyclopentyl-4-(7H-Pyrrolo[2,3-D]pyrimidin-4-Yl)-(βR)-1H-Pyrazole-1-Propanenitrile

IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile | CAS Registry Number: 941678-49-5
Synonyms: Ruxolitinib, INCB-018424, INCB018424, UNII-82S8X8XX8H, CHEBI:66919, Ruxolitinib, 941678-49-5, INCB 018424, (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, ?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(?R)-1H-pyrazole-1-propanenitrile, Ruxolitinib [INN], S1378_Selleck, Ruxolitinib (USAN/INN), Ruxolitinib [USAN:INN], INCB18424,Ruxolitinib, SureCN171319, INCB424, cc-189, 82S8X8XX8H, INCB018424 (Ruxolitinib), INCB018424 - Ruxolitinib

Molecular Formula:	C₁₇H₁₈N₆	Molecular Weight:	306.365020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HFNKQEVNSGCOJV-OAHLLOKOSA-N

• 5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride

IUPAC Name: 5,6-diethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride | CAS Registry Number: 312753-53-0
Synonyms: 5,6-diethyl-2,3-dihydro-1H-inden-2-amine Hydrochloride, 5,6-diethylindan-1-one, SureCN866127, CTK8B4378, MolPort-021-784-844, ANW-44874, AKOS015924667, LS40648, RP27622, AK-79681, BD227882, KB-196291, FT-0686954, X6200, 2-AMINO-5,6-DIETHYL-2,3-DIHYDRO-1H-INDENE HCL

Molecular Formula:	C₁₃H₂₀ClN	Molecular Weight:	225.757600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: ZOVIYWYFBOQKIA-UHFFFAOYSA-N

• 4,5-Dichloroisothiazole-3-carboxylic acid

IUPAC Name: 4,5-dichloro-1,2-thiazole-3-carboxylic acid | CAS Registry Number: 131947-13-2
Synonyms: 3-Isothiazolecarboxylicacid, 4,5-dichloro-, 4,5-Dichloro-isothiazole-3-carboxylic acid, 4,5-dichloro-1,2-thiazole-3-carboxylic acid, SMR000034060, ACMC-1BWZV, AC1LOPZ7, SureCN2064238, MLS000069294, STOCK2S-93662, CTK0H3477, MolPort-000-142-024, HMS2325K11, SBB000369, STL333727, AKOS000301811, AG-D-64875, MCULE-8775648977, RP04151, 4,5-Dichloroisothiazole-3-carboxylicacid, NCGC00018771-01

Molecular Formula:	C₄HCl₂NO₂S	Molecular Weight:	198.027240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZFEHQZVNKOESSZ-UHFFFAOYSA-N

• 1,4-Benzenediamine, N1,N1,N4,N4-tetrakis[4-(dibutylamino)phenyl]-

IUPAC Name: 1-N,1-N-dibutyl-4-N-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine | CAS Registry Number: 4182-80-3
Synonyms: EINECS 224-057-8, 1,4-Benzenediamine, N,N,N',N'-tetrakis(4-(dibutylamino)phenyl)-, N,N,N',N'-Tetrakis(4-(dibutylamino)phenyl)-1,4-benzenediamine, N,N,N',N'-Tetrakis(4-(dibutylamino)phenyl)benzene-1,4-diamine, 171903-72-3

Molecular Formula:	C₆₂H₉₂N₆	Molecular Weight:	921.434080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: GVNSFLFOZIYBPH-UHFFFAOYSA-N

• 5,6-DihydroxyIndole

IUPAC Name: 1H-indole-5,6-diol | CAS Registry Number: 3131-52-0
Synonyms: Dopamine lutine, 5,6-Dihydroxyindole, Dihydroxyindole, 1H-Indole-5,6-diol, C8H7NO2, 3H-INDOLE-5,6-DIOL, CHEBI:27404, CID114683, LS-174334, C05578, D-3560, 3ID, dhi, InChI=1/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11

Molecular Formula:	C₈H₇NO₂	Molecular Weight:	149.146680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: SGNZYJXNUURYCH-UHFFFAOYSA-N