Kouting Chemical Co., Ltd.

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• ASC-J9

IUPAC Name: (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one | CAS Registry Number: 917813-54-8
Synonyms: Dimethylcurcumin, 52328-98-0, 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, Curcumin dimethyl ether, ASC J9, ASCJ-9, AC1O53VS, UNII-D60XLY608D, Go-Y025, CHEMBL128748, GO Y025, CHEBI:312538, GO-Y-025, NSC734923, RSC004738, AKOS015891371, CS-0533, LS40141, NSC-734923, AK-48591

Molecular Formula:	C₂₃H₂₄O₆	Molecular Weight:	396.433060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ZMGUKFHHNQMKJI-CIOHCNBKSA-N

• Benzeneacetic Acid, 4-Carboxy-

IUPAC Name: 4-(carboxymethyl)benzoic acid | CAS Registry Number: 501-89-3
Synonyms: NSC2109, (4-CARBOXYPHENYL)ACETIC ACID, CID220005, LT03511334

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DMEDOWYXHVUPMO-UHFFFAOYSA-N

• Cefoselis sulfate

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid | CAS Registry Number: 122841-12-7
Synonyms: Winsef, Winsef (TN), Cefoselis sulfate (JAN), FK 037, C14011, D02232

Molecular Formula:	C₁₉H₂₄N₈O₁₀S₃	Molecular Weight:	620.636460 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	16

InChIKey: LZOLCSVRFKCSEM-ZQCAECPKSA-N

• Cyclopenta[c]pyrrole-1-carboxylic acid

IUPAC Name: ethyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate | CAS Registry Number: 1147103-42-1
Synonyms: 402958-25-2, (1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate, (1S,3aR,6aS)-Octahydro-cyclopenta[c]pyrrole-1-carboxylic acid ethyl ester, Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-, SureCN8038112, CYC040, CTK8C4214, ANW-71275, AKOS016008089, RL00574, RP24409, AK104495, KB-205426, FT-0673187, (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic Acid Ethyl Ester

Molecular Formula:	C₁₀H₁₇NO₂	Molecular Weight:	183.247480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BFZUEHILBXRWGT-CIUDSAMLSA-N

• Darifenacin

IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide | CAS Registry Number: 133099-07-7
Synonyms: Enablex, Emselex, Darifenacin hydrobromide, Enablex (TN), UK 88525-04 hydrobromide, CID444030, Darifenacin hydrobromide (JAN/USAN), UK-88525, LS-186532, UK-88525-04, D01699, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (S)-, (S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (3S)-

Molecular Formula:	C₂₈H₃₁BrN₂O₂	Molecular Weight:	507.461940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UQAVIASOPREUIT-VQIWEWKSSA-N

• Dasatinib

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

Molecular Formula:	C₂₂H₂₈ClN₇O₃S	Molecular Weight:	506.020820 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

• Dimebolin-Dihydrochloride

IUPAC Name: 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole | CAS Registry Number: 3613-73-8
Synonyms: Dimebolin, Dimeboline, Dimebone, Dimebon, Preparation 84, Dimebon HCl, Dimebon dihydrochloride, MLS002264475, UNII-8B9414QQ5M, UNII-OD9237K1Z6, NIOSH/UV0626000, C21H25N3, BRN 0622478, CID197033, SMR001317776, LS-133645, UV0626000, PF 01913539, PF-01913539, 5-23-07-00382 (Beilstein Handbook Reference)

Molecular Formula:	C₂₁H₂₅N₃	Molecular Weight:	319.443300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JNODQFNWMXFMEV-UHFFFAOYSA-N

• Elesclomol

IUPAC Name: 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide | CAS Registry Number: 488832-69-5
Synonyms: UNII-6UK191M53P, NSC174939, STA 4783, STA-4783, CID300471, NCI60_001429, N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide, Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]

Molecular Formula:	C₁₉H₂₀N₄O₂S₂	Molecular Weight:	400.517700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BKJIXTWSNXCKJH-UHFFFAOYSA-N

• Eltrombopag

IUPAC Name: 3-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid | CAS Registry Number: 496775-61-2
Synonyms: Promacta, Revolade, UNII-S56D65XJ9G, Eltrombopag [INN], SB 497115, 3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid, SB-497115-GR, EN002876, SB497115, [1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2Z)-[1-(3,4-dime, PubChem20546, thylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy- (9CI), (1,1'-Biphenyl)-3-carboxylic acid, 3'-((2Z)-(1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxy-, (E)-3\'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2\'-hydroxybiphenyl-3-carboxylic acid, S56D65XJ9G, BCPP000243, ABP000381, AKOS015920246, BCP9000641, DB06210

Molecular Formula:	C₂₅H₂₂N₄O₄	Molecular Weight:	442.466580 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: TYEXNVNUZXJNBN-YYADALCUSA-N

• Evodiamine

Synonyms: Evodiamine, Evodia rutaecarpa, BB_NC-1930, CID442088, ZINC00898159, C09187
Molecular Formula: C₁₉H₁₇N₃O Molecular Weight: 303.357780 [g/mol]
H-Bond Donor: 1 H-Bond Acceptor: 3

InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N

• Gefitinib

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

Molecular Formula:	C₂₂H₂₄ClFN₄O₃	Molecular Weight:	446.902363 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Hordenine

IUPAC Name: 4-(2-dimethylaminoethyl)phenol; sulfuric acid | CAS Registry Number: 3595-05-9
Synonyms: Hordenine sulfate, hordenine sulfate[1:1], C10H15NO.2H2O.H2O4S, EINECS 222-740-5, P-(2-dimethylaminoethyl)phenol, sulfate, p-(2-(Dimethylamino)ethyl)phenol sulphate, LS-104457, TL8004085, 4-(2-(Dimethylamino)ethyl)phenol sulfate (1:1) (salt) dihydrate, Phenol, 4-(2-(dimethylamino)ethyl)-, sulfate (1:1) (salt), dihydrate, 539-15-1, 62493-39-4

Molecular Formula:	C₁₀H₁₇NO₅S	Molecular Weight:	263.310680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OIIQUBZPQJNHQK-UHFFFAOYSA-N

• Methyl 3-Bromo-4-Chlorobenzoate

IUPAC Name: methyl 3-bromo-4-chlorobenzoate | CAS Registry Number: 107947-17-1
Synonyms: METHYL 3-BROMO-4-CHLOROBENZOATE, ACMC-2098yb, SureCN728817, Methyl3-Bromo-4-Chlorobenzoate, CTK4A5786, Methyl 3-bromo-4-chlorobenzoate,, MolPort-015-143-136, ANW-15873, AKOS015834198, AG-L-20281, RP28863, AK107559, KB-30202, 3-Bromo-4-chlorobenzoic acid methyl ester, 3-Bromo-4-chloro-benzoic acid methyl ester, A-4885, I01-8995

Molecular Formula:	C₈H₆BrClO₂	Molecular Weight:	249.489040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CLRJXWANIVYEHH-UHFFFAOYSA-N

• Methyl 4-Methoxyacetoacetate

IUPAC Name: methyl 4-methoxy-3-oxobutanoate | CAS Registry Number: 41051-15-4
Synonyms: Methyl 4-methoxyacetoacetate, Methyl methoxyacetoacetate, 281506_ALDRICH, Methyl 4-methoxy-3-oxobutyrate, BB_SC-5537, EINECS 255-188-9, CID123500, ZINC02539320, Butanoic acid, 4-methoxy-3-oxo-, methyl ester

Molecular Formula:	C₆H₁₀O₄	Molecular Weight:	146.141200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QGBPKJFJAVDUNC-UHFFFAOYSA-N

• N-Methyltyramine Hydrochloride

IUPAC Name: 4-[2-(methylamino)ethyl]phenol hydrochloride | CAS Registry Number: 13062-76-5
Synonyms: N-Methyltyramine hydrochloride, 370-98-9 (Parent), CID202623, p-(2-(Methylamino)ethyl)phenol hydrochloride, LS-104816, 4-Hydroxy-beta-phenylethylmethylamine hydrochloride, Phenol, p-(2-(methylamino)ethyl)-, hydrochloride, I01-1800

Molecular Formula:	C₉H₁₄ClNO	Molecular Weight:	187.666560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: JNZSSRZVHCKFLK-UHFFFAOYSA-N

• Nocodazole

IUPAC Name: methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate | CAS Registry Number: 31430-18-9
Synonyms: nocodazole, Oncodazole, Nocodazolum, Nocidazole, Nocodazol, Prestwick_359, nchembio.63-comp4, nchembio.100-comp7, nchembio.90-comp11, Nocodazol [INN-Spanish], Nocodazolum [INN-Latin], Tocris-1228, Nocodazole (USAN/INN), Nocodazole [USAN:INN], Prestwick0_000100, Prestwick1_000100, Prestwick2_000100, Prestwick3_000100, Spectrum3_001768, Spectrum4_001060

Molecular Formula:	C₁₄H₁₁N₃O₃S	Molecular Weight:	301.320440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KYRVNWMVYQXFEU-UHFFFAOYSA-N

• Obatoclax Mesylate

IUPAC Name: 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid | CAS Registry Number: 803712-79-0
Synonyms: Obatoclax mesylate, ACT06786

Molecular Formula:	C₂₁H₂₃N₃O₄S	Molecular Weight:	413.490020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: ZVAGBRFUYHSUHA-RKMKAUCSSA-N

• Odanacatib

IUPAC Name: (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide | CAS Registry Number: 603139-19-1
Synonyms: UNII-N673F6W2VH, MK0822, MK 0822, CID10152654, CID 10152654

Molecular Formula:	C₂₅H₂₇F₄N₃O₃S	Molecular Weight:	525.558793 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: FWIVDMJALNEADT-SFTDATJTSA-N

• Olopatadine Hydrochloride

IUPAC Name: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride

Molecular Formula:	C₂₁H₂₄ClNO₃	Molecular Weight:	373.873160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HVRLZEKDTUEKQH-NOILCQHBSA-N

• Phenol, 4-[2-(dimethylamino)ethyl]-

IUPAC Name: 4-(2-dimethylaminoethyl)phenol | CAS Registry Number: 539-15-1
Synonyms: Hordenine, N,N-Dimethyltyramine, p-(2-Dimethylaminoethyl)phenol, 4-[2-(Dimethylamino)ethyl]phenol, CHEBI:5764, 4-(2-Dimethylaminoethyl)phenol, STOCK1N-06824, 6027-23-2 (hydrochloride), Phenol, p-[2-(dimethylamino)ethyl]-, CID68313, EINECS 208-710-4, 3595-05-9 (unspecified sulfate), 622-64-0 (sulfate[2:1]), NCGC00160162-01, NCGC00160162-02, 62493-39-4 (sulfate[1:1]), N,N-Dimethyl-2-(4-hydroxyphenyl)ethylamine, N,N-Dimethyl-4-hydroxy-beta-phenethylamine, C06199, I01-1790

Molecular Formula:	C₁₀H₁₅NO	Molecular Weight:	165.232200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KUBCEEMXQZUPDQ-UHFFFAOYSA-N

• Plerixafor

IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane | CAS Registry Number: 110078-46-1
Synonyms: Mozobil, AMD3100, Amd 3100, bicyclam JM-2987, JM 3100, AMD-3100, UNII-S915P5499N, JM3100, JM-3100, Mozobil (TN), SID791, 155148-31-5, 1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene, 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane, AC1L22ET, 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane, CHEMBL18442, SDZ SID 791, GNA & AMD-3100, HHA & AMD-3100

Molecular Formula:	C₂₈H₅₄N₈	Molecular Weight:	502.781960 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N

• PP242

IUPAC Name: 2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol | CAS Registry Number: 1092351-67-1
Synonyms: SureCN298922, KB-59945

Molecular Formula:	C₁₆H₁₆N₆O	Molecular Weight:	308.337840 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MTICIDWIKCANDD-UHFFFAOYSA-N

• Riociguat

IUPAC Name: methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-methylcarbamate | CAS Registry Number: 625115-55-1
Synonyms: Adempas, CHEBI:76018, BAY 63-2521, Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate, N-[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methylcarbamic acid methyl ester, riociguatum, Riociguat (JAN/INN), UNII-RU3FE2Y4XI, SureCN245457, Bay 63-2521,Riociguat, Riociguat [USAN:INN:JAN], AGN-PC-006EK8, CHEMBL2107834, QCR-167, Riociguat,CAS:625115-55-1, AKOS015900718, BAY 632521, BAY-632521, BCP9000382, CS-0584

Molecular Formula:	C₂₀H₁₉FN₈O₂	Molecular Weight:	422.415663 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: WXXSNCNJFUAIDG-UHFFFAOYSA-N

• RU58841

IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 154992-24-2
Synonyms: CHEBI:105155, CID132981, RU 58841, RU-58841, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, 4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-trifluoromethyl-benzonitrile, Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-

Molecular Formula:	C₁₇H₁₈F₃N₃O₃	Molecular Weight:	369.338330 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: ARBYGDBJECGMGA-UHFFFAOYSA-N

• Rutaecarpine

IUPAC Name: 3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea | CAS Registry Number: 20575-76-2
Synonyms: NSC 255317, BRN 2116874, NSC255317, 1,1'-Hexamethylenebis(3,3-dimethylurea), AI3-51108, Urea, 1,1'-hexamethylenebis(3,3-dimethyl-, 1,1'-Hexamethylenebis[3,3-dimethylurea], LS-160305, Urea, 1,1'-hexamethylenebis[3,3-dimethyl-, Urea, N,N''-1,6-hexanediylbis(N',N'-dimethyl-, Urea, N,N''-1,6-hexanediylbis[N',N'-dimethyl-, Urea, N,N''-1,6-hexanediylbis(N',N'-dimethyl- (9CI)

Molecular Formula:	C₁₂H₂₆N₄O₂	Molecular Weight:	258.360440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: JZGGZNWADMJJCC-UHFFFAOYSA-N

• RUTECARPINE,95+%

Synonyms: Rutaecarpine, Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine, NSC 258317, 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, Rutaecarpine, Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine, Rutecarpine (8CI), S2349_Selleck, Lopac-R-3277, SureCN288507, UPCMLD-DP040, Lopac0_001091, Oprea1_313284, MLS002153304, CHEMBL85139, R3277_SIGMA, AC1L23W8, UPCMLD-DP040:001

Molecular Formula:	C₁₈H₁₃N₃O	Molecular Weight:	287.315320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ACVGWSKVRYFWRP-UHFFFAOYSA-N

• Saxagliptin

IUPAC Name: (1R,3R)-2-[(2R)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile | CAS Registry Number: 361442-04-8
Synonyms: Onglyza, UNII-8I7IO46IVQ, BMS 477118

Molecular Formula:	C₁₈H₂₅N₃O₂	Molecular Weight:	315.410000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QGJUIPDUBHWZPV-CQRXPZLVSA-N

• Saxagliptin Intermediate 2

IUPAC Name: (2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid | CAS Registry Number: 361442-00-4
Synonyms: (S)-N-Boc-3-hydroxyadamantylglycine, PubChem20215, TRI047, ABP000768, 1334321-39-9, Tricyclo[3.3.1.13,7]decane-1-acetic acid, |A-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (|AR)-

Molecular Formula:	C₁₇H₂₇NO₅	Molecular Weight:	325.399980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: UKCKDSNFBFHSHC-KHNNNQPQSA-N

• Saxagliptin Intermediate 3

IUPAC Name: tert-butyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate | CAS Registry Number: 361440-67-7
Synonyms: (1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester, (1S,3S,5S)-tert-Butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate, AG-L-19372, 2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (1S,3S,5S)-, PubChem20212, SureCN3508700, AZA004, CTK4H5982, SAXAGLIPTIN INTERMEDIATE 3, MolPort-008-155-919, ANW-45435, AKOS015901870, LS40460, PB33144, RP27659, AK-48187, KB-68151, AB1011440, AM20090694, FT-0660433

Molecular Formula:	C₁₁H₁₈N₂O₃	Molecular Weight:	226.272220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VLAGXRRGXCNITB-FXQIFTODSA-N

• Saxagliptin N-3

IUPAC Name: (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid | CAS Registry Number: 361440-69-9
Synonyms: (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide 2,2,2-trifluoroacetate, AKOS016012460, AK126850, KB-205446

Molecular Formula:	C₈H₁₁F₃N₂O₃	Molecular Weight:	240.179750 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ANTLFTRMIBAQHA-SHLRHQAISA-N

• SNS-032

IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 345627-92-1
Synonyms: AC1OCFM7, AC-5242, S1145_Selleck, Kinome_3820, N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide L-tartaric acid salt (2:1), AC1MHGD4, CHEMBL296468, MolPort-005-942-660, BMS-387072, BMS-387032, SNS-032, LS-186036, I09-1579, CID6918586, DCL000007, CID3025986, FT-0660443, Y0250, N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide; (2R,3R)-2,3-dihydroxybutanedioic acid

Molecular Formula:	C₃₈H₅₄N₈O₁₀S₄	Molecular Weight:	911.142960 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	20

InChIKey: VWFVZMKHYHIITN-CEAXSRTFSA-N

• Tamulosin Hydrochloride

IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide hydrochloride | CAS Registry Number: 106463-17-6
Synonyms: Flomax, Urolosin, Secotex, Pradif, Josir, Omnic, Alna, Omic, Omix, Expros, Harnal, Amsulosin hydrochloride, Flomax MR, AlnaOCAS, Flomax (TN), Harnal (TN), TAMSULOSIN HYDROCHLORIDE, Ambap2529, C20H28N2O5S.HCl, YM617

Molecular Formula:	C₂₀H₂₉ClN₂O₅S	Molecular Weight:	444.972660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZIZZTHXZRDOFM-XFULWGLBSA-N

• Tecovirimat

Synonyms: UNII-F925RR824R, SIGA-246, ST-246, ST 246, 4-trifluoromethyl-N-(3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(f)isoindol-2(1H)-yl)-benzamide, 869572-92-9, 935766-08-8, 935839-17-1

Molecular Formula:	C₁₉H₁₅F₃N₂O₃	Molecular Weight:	376.329210 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: CSKDFZIMJXRJGH-VWLPUNTISA-N

• TMC-207

IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol | CAS Registry Number: 843663-66-1
Synonyms: Diarylquinoline deriv, nchembio884-comp1c, nchembio884-comp1d, TMC 207, AIDS192824, AIDS-192824, CID10437679, R 207910, 1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol, (1R*,2R*)-1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-methyl-amino-2-naphthalen-1-yl-1-phenyl-butan-2-ol, (1R*,2S*)-1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-methyl-amino-2-naphthalen-1-yl-1-phenyl-butan-2-ol, 3-Quinolineethanol, 6-bromo-.alpha.-[2-(dimethylamino)ethyl]-2-methoxy-.alpha.-1-naphthalenyl-.beta.-phenyl-, 3-Quinolineethanol, 6-bromo-alpha-(2-(dimethylamino)ethyl)-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaS,betaR)-

Molecular Formula:	C₃₂H₃₁BrN₂O₂	Molecular Weight:	555.504740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QUIJNHUBAXPXFS-UHFFFAOYSA-N

• 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-

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

Molecular Formula:	C₂₂H₂₆ClN₇O₂S	Molecular Weight:	488.005540 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

• ((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl�benzoate

IUPAC Name: [(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate | CAS Registry Number: 874638-80-9
Synonyms: ((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate, SureCN475953, PB30271, RL05441, KB-00003, ((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methylbenzoate, 2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHROPENTENOIC ACID-R-LACTONE,3,5-DIBENZOATE, D-ERYTHRO-PENTONIC ACID, 2-DEOXY-2-FLUORO-2-METHYL-, GAMMA-LACTONE, 3,5-DIBENZOATE, (2R)-

Molecular Formula:	C₂₀H₁₇FO₆	Molecular Weight:	372.343783 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: OUKYMZJNLWKCSO-JXXFODFXSA-N

• 1-(4-amino-2-methoxy-phenyl)-ethanone

IUPAC Name: 1-(4-amino-2-methoxyphenyl)ethanone | CAS Registry Number: 60207-18-3
Synonyms: 1-(4-Amino-2-methoxyphenyl)ethanone, 1-(4-AMINO-2-METHOXY-PHENYL)-ETHANONE, SureCN8280033, CTK5B1123, MolPort-021-877-766, ANW-71423, AKOS016007357, 1-(4-amino-2-methoxyphenyl)-ethanone, AG-G-15331, AK-86813, KB-214176

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WSESDZHLGIIHPS-UHFFFAOYSA-N

• 17alpha-propionate

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 19608-29-8
Synonyms: 17 alpha-propionate, 17 |A-propionate, 17 alpha-propionate, S1585_Selleck, SureCN1231152, BCP9000062, CS-1151, CB-03-01, HY-13331, 17 alpha-propionate-Supplied by Selleck Chemicals, 17 alpha-propionate|19608-29-8|CB-03-01

Molecular Formula:	C₂₄H₃₄O₅	Molecular Weight:	402.523760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GPNHMOZDMYNCPO-PDUMRIMRSA-N

• 5-(Bromomethy)-2-(Trifluoromethyl)Pyridine

IUPAC Name: 5-(bromomethyl)-2-(trifluoromethyl)pyridine | CAS Registry Number: 108274-33-5
Synonyms: 5-(Bromomethyl)-2-(trifluoromethyl)pyridine, 5-(Bromomethy)-2-(trifluoromethyl)pyridine, Pyridine,5-(bromomethyl)-2-(trifluoromethyl)-, ACMC-1C7QK, SureCN934644, AGN-PC-001BOQ, CTK4A5934, MolPort-008-155-932, ANW-56522, PC8704, AKOS015917213, AB60236, AC-5300, AG-I-03025, QC-4070, RP05829, AK-32811, KB-81050, FT-0663802, X7300

Molecular Formula:	C₇H₅BrF₃N	Molecular Weight:	240.020510 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRQUWHXXVJARBK-UHFFFAOYSA-N

• 1,2-Cyclohexanedione

IUPAC Name: cyclohexane-1,2-dione | CAS Registry Number: 765-87-7
Synonyms: 1,2-CYCLOHEXANEDIONE, 1,2-Dioxocyclohexane, 1,2-Cyclohexadione, Cyclohexane-1,2-dione, Cyclohexan-1,2-dione, CCRIS 6296, C101400_ALDRICH, CHEBI:41674, EINECS 212-155-3, NSC 32950, NSC627435, AIDS132768, AIDS-132768, CID13006, NSC32950, BRN 0507419, CPD0-1349, ZINC01530349, AI3-25042, 1,2-CYCLOHEXANEDIONE,KETONE FORM

Molecular Formula:	C₆H₈O₂	Molecular Weight:	112.126520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N

• 2'-CHLORO-5'-METHYL-4'-NITROBENZANILIDE&

IUPAC Name: N-(2-chloro-5-methyl-4-nitrophenyl)benzamide | CAS Registry Number: 206986-83-6
Synonyms: N-(2-chloro-5-methyl-4-nitrophenyl)benzamide, AC1N6BNL, CTK8E8234, 274046_SIAL, QC-1504, 2'-Chloro-5'-methyl-4'-nitrobenzanilide, 2gamma-Chloro-5gamma-methyl-4gamma-nitrobenzanilide, 2 inverted exclamation marka-Chloro-5 inverted exclamation marka-methyl-4 inverted exclamation marka-nitrobenzanilide

Molecular Formula:	C₁₄H₁₁ClN₂O₃	Molecular Weight:	290.701740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FSQMLSBGODTGQF-UHFFFAOYSA-N

• 8-Methyl Quinoline

IUPAC Name: 8-methylquinoline | CAS Registry Number: 611-32-5
Synonyms: 8-METHYLQUINOLINE, Quinoline, 8-methyl-, O-Toluquinoline, CCRIS 408, NSC 9409, NSC9409, 261769_ALDRICH, 66200_FLUKA, CHEBI:48984, EINECS 210-264-0, NISTC611325, BRN 0111340, Quinoline, 8-methyl- (8CI,9CI), ZINC01699970, AI3-00849, LS-1461, NCGC00091614-01, AI3-0111340, 5-20-07-00405 (Beilstein Handbook Reference), T5614341

Molecular Formula:	C₁₀H₉N	Molecular Weight:	143.185160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JRLTTZUODKEYDH-UHFFFAOYSA-N

• 2-(1-Cyclohexenyl)Ethylamine

IUPAC Name: 2-cyclohexen-1-ylethanamine | CAS Registry Number: 3399-73-3
Synonyms: Cyclohexenylethylamine, 1-Cyclohexene-1-ethanamine, Cyclohexylethylamine, 2-(1-Cyclohexenyl)ethylamine, 1-Cyclohexen-1-ylethylamine, Cyclohex-1-ene-1-ethylamine, 2-(1-Cyclohexen-1-yl)ethylamine, 255866_ALDRICH, beta-(1-Cyclohexenyl)ethylamine, .beta.-(1-Cyclohexenyl)ethylamine, CID76938, NSC26453, EINECS 222-267-4, NSC 26453, BBR-007456

Molecular Formula:	C₈H₁₅N	Molecular Weight:	125.211400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: IUDMXOOVKMKODN-UHFFFAOYSA-N

• 1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-

IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide | CAS Registry Number: 503612-47-3
Synonyms: Apixaban, Apixaban (USAN/INN), 2p16, BMS-562247, CID10182969, BMS-562247-01, D03213, GG2

Molecular Formula:	C₂₅H₂₅N₅O₄	Molecular Weight:	459.497100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-N

• 5-Methylpyridine-2-carbonitrile

IUPAC Name: 5-methylpyridine-2-carbonitrile | CAS Registry Number: 1620-77-5
Synonyms: ZINC01995258, CID74183, EINECS 216-589-4

Molecular Formula:	C₇H₆N₂	Molecular Weight:	118.135940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LIEQVZZZYLHNRH-UHFFFAOYSA-N

• (+,-)-8,9-Difluoro-5-Methyl-6,7-Dihydro-1-Oxo-1h,5h-Benzo I,J Quinoline-2-Carboxylic Acid

Synonyms: 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid, AG-H-21092, 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid, (+,-)-8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[i,j]quinoline-2-carboxylic acid, SureCN8083425, CTK3E8023, ANW-45811, SBB068695, AKOS015918194, AK-87367, BD227402, KB-200242, FT-0653228, V0886, M-1397, I14-8250, 1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 8,9-difluoro-6,7-dihydro-5-methyl-1-oxo-

Molecular Formula:	C₁₄H₁₁F₂NO₃	Molecular Weight:	279.238846 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: XUROCEZEOCOWSX-UHFFFAOYSA-N

• 6-Nitro-3-carboxaldehyde

IUPAC Name: 6-nitro-2H-indazole-3-carbaldehyde | CAS Registry Number: 315203-37-3
Synonyms: 6-Nitro-1H-indazole-3-carbaldehyde, 6-Nitro indazole-3-carboxaldehyde, 6-Nitro-1H-indazole-3-carboxaldehyde, 1H-INDAZOLE-3-CARBOXALDEHYDE, 6-NITRO-, 6-nitroindazole-3-carbaldehyde, CTK4G7270, MolPort-005-934-835, 6-nitro-2H-indazole-3-carbaldehyde, ANW-60808, ZINC14984575, 6-nitro-2H-indazole-3-carboxaldehyde, AKOS006229935, AB13232, AC-5305, AG-F-05126, AM81171, 1H-Indazole-3-carboxaldehyde,6-nitro-, AK-79438, KB-45843, FT-0644410

Molecular Formula:	C₈H₅N₃O₃	Molecular Weight:	191.143600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UYPSMSUYMARCRX-UHFFFAOYSA-N

• 2-Bromo-4-Ethyl Pyridine

IUPAC Name: 2-bromo-4-ethylpyridine | CAS Registry Number: 54453-91-7
Synonyms: 2-Bromo-4-ethylpyridine, 2-Bromo-4-ethylpyrdine, AG-F-88995, 4-Ethyl-2-bromopyridine, AC1N3L8P, Pyridine,2-bromo-4-ethyl-, CTK5A1081, MolPort-003-845-361, ZINC06711616, AKOS006280220, AC-5289, MCULE-1243238936, AK126079, KB-168974, FT-0640253, ST51052559, Y5042, 2-Bromo-4-ethylpyridine;4-Ethyl-2-bromopyridine, I03-0141

Molecular Formula:	C₇H₈BrN	Molecular Weight:	186.049120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N

• 5-(bromomethyl)-2-(trifluoromethyl)pyridine

IUPAC Name: 5-(bromomethyl)-2-(trifluoromethyl)pyridine

Molecular Formula:	C₇H₅BrF₃N	Molecular Weight:	240.020510 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRQUWHXXVJARBK-UHFFFAOYSA-N

• 2-Chloro-3-hydroxy-4-methoxybenzaldehyde

IUPAC Name: 2-chloro-3-hydroxy-4-methoxybenzaldehyde | CAS Registry Number: 37687-57-3
Synonyms: 2-Chloroisovanillin, 565997_ALDRICH, 2-Chloro-3-hydroxy-p-anisaldehyde, EINECS 253-627-9, SBB003704, Benzaldehyde, 2-chloro-3-hydroxy-4-methoxy-

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DTMJGFBJQBQOIA-UHFFFAOYSA-N