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GN0

GN0
Name:	(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Formula:	C25 H23 Cl N2 O3 S2
SMILES:	OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5
InChi:	InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
Synonyms:	inhibitor GNE-140
Definition date:	2015-05-19
Last modified:	2021-03-01
Release date:	2016-05-18
Identifier:	(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one

GPI

GPI
Name:	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
Formula:	C20 H28 N2 O4
SMILES:	O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2
InChi:	InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
Synonyms:	GPI-1046
Definition date:	2000-06-16
Last modified:	2021-03-01
Identifier:	3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate

TTG

TTG
Name:	2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID
Formula:	C23 H25 N3 O6
SMILES:	O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC
InChi:	InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1
Synonyms:	HYDROLYZED PRODUCT OF TOPOTECAN
Definition date:	2002-01-15
Last modified:	2021-03-01
Identifier:	(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid

9SC

9SC
Name:	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Formula:	C23 H27 Cl2 N3 O2
SMILES:	Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
InChi:	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Synonyms:	Aripiprazole
Definition date:	2018-07-11
Last modified:	2021-03-01
Release date:	2018-10-24
Identifier:	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one

42U

42U
Name:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
Formula:	C22 H23 F4 N5
SMILES:	FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4
InChi:	InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30)
Synonyms:	CBR-9393
Definition date:	2015-01-23
Last modified:	2021-03-01
Release date:	2015-07-22
Identifier:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline

A1F

A1F
Name:	1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
Formula:	C20 H23 F N2 O3 S
SMILES:	c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:	InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3
Synonyms:	AMF1alpha
Definition date:	2017-05-15
Last modified:	2021-03-01
Release date:	2017-11-15
Identifier:	1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

A24

A24
Name:	(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE
Formula:	C19 H27 N3 O10
SMILES:	[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3
InChi:	InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1
Synonyms:	BMSC-0011
Definition date:	2001-08-16
Last modified:	2021-03-01
Identifier:	3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide

FBQ

FBQ
Name:	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL
Formula:	C20 H18 F4 N2 O2 S
SMILES:	FC(F)(F)C(O)(O)c1cccc(c1)CSCc2c(c3c(F)cccc3nc2C)N
InChi:	InChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)
Synonyms:	4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE
Definition date:	2001-04-24
Last modified:	2021-03-01
Identifier:	1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol

FCC

FCC
Name:	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
Formula:	C26 H21 N3 O
SMILES:	O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
InChi:	InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
Synonyms:	Linopirdine
Definition date:	2020-04-27
Last modified:	2021-03-01
Release date:	2020-12-02
Identifier:	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

FIT

FIT
Name:	(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Formula:	C23 H36 N2 O2
SMILES:	O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C
InChi:	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
Synonyms:	FINASTERIDE
Definition date:	2009-02-11
Last modified:	2021-03-01
Identifier:	(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

1IQ

1IQ
Name:	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID
Formula:	C17 H17 N3 O3
SMILES:	O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
InChi:	InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
Synonyms:	IMAZAQUIN
Definition date:	2005-04-04
Last modified:	2021-03-01
Identifier:	2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

A2V

A2V
Name:	1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
Formula:	C20 H22 F2 N2 O3 S
SMILES:	c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:	InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3
Synonyms:	AMF2beta
Definition date:	2017-05-15
Last modified:	2021-03-01
Release date:	2017-11-15
Identifier:	1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

A3W

A3W
Name:	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C17 H20 F3 N7 O2
SMILES:	Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChi:	InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
Synonyms:	PQR309
Definition date:	2017-08-10
Last modified:	2021-03-01
Release date:	2017-09-06
Identifier:	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

1N8

1N8
Name:	N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE
Formula:	C30 H31 F3 N6 O2
SMILES:	FC(F)(F)c1cc(c(NC(=O)CN(CC)CC)cc1)NC(=O)c4cc(c3cc2c(nc(nc2)NC)cc3)c(cc4)C
InChi:	InChI=1S/C30H31F3N6O2/c1-5-39(6-2)17-27(40)36-25-12-10-22(30(31,32)33)15-26(25)37-28(41)20-8-7-18(3)23(14-20)19-9-11-24-21(13-19)16-35-29(34-4)38-24/h7-16H,5-6,17H2,1-4H3,(H,36,40)(H,37,41)(H,34,35,38)
Synonyms:	AMINOQUINAZOLINE 36
Definition date:	2007-01-10
Last modified:	2021-03-01
Identifier:	N-{2-[(N,N-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide

AA2

AA2
Name:	4-ARYL-2-PHENYLAMINO PYRIMIDINE
Formula:	C25 H30 Cl N5 O
SMILES:	Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C
InChi:	InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)
Synonyms:	4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE
Definition date:	2003-03-24
Last modified:	2021-03-01
Identifier:	4-[4-(1-amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine

1BU

1BU
Name:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3ccc(Nc2ncnc1c2cc(N)cc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Synonyms:	1-[4-(6-Amino-quinazolin-4-ylamino)-phenyl]-3-(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-urea
Definition date:	2008-11-05
Last modified:	2021-03-01
Identifier:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea

AF0

AF0
Name:	N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
Formula:	C20 H20 F4 N2 O3 S
SMILES:	c1(c(c(c(c(c1F)F)C)F)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:	InChI=1S/C20H20F4N2O3S/c1-3-8-26-15-6-5-13(9-12(15)4-7-16(26)27)25-30(28,29)10-14-19(23)17(21)11(2)18(22)20(14)24/h5-6,9,25H,3-4,7-8,10H2,1-2H3
Synonyms:	AMF4
Definition date:	2017-05-15
Last modified:	2021-03-01
Release date:	2017-11-15
Identifier:	N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide

917

917
Name:	N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
Formula:	C15 H15 N3 O3 S
SMILES:	c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O
InChi:	InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1
Synonyms:	Llinezolid-114
Definition date:	2017-03-24
Last modified:	2021-03-01
Release date:	2017-09-20
Identifier:	N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide

CH5

CH5
Name:	2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C8 H21 N O6 P
SMILES:	O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
Synonyms:	GLYCERO-3-PHOSPHOCHOLINE
Definition date:	2005-08-12
Last modified:	2021-03-01
Identifier:	2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

CLQ

CLQ
Name:	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE
Formula:	C18 H26 Cl N3
SMILES:	Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC
InChi:	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1
Synonyms:	CHLOROQUINE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4R)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine

CLU

CLU
Name:	2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE
Formula:	C9 H9 Cl2 N3
SMILES:	Clc2c(N=C1/NCCN1)c(Cl)ccc2
InChi:	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
Synonyms:	CLONIDINE
Definition date:	2007-05-01
Last modified:	2021-03-01
Identifier:	2,6-dichloro-N-imidazolidin-2-ylideneaniline

CNQ

CNQ
Name:	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
Formula:	C15 H10 Cl N3 O
SMILES:	Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3
InChi:	InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
Synonyms:	2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
Definition date:	2004-08-25
Last modified:	2021-03-01
Identifier:	3-(4-chlorophenyl)quinoxaline-5-carboxamide

CPL

CPL
Name:	1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C42 H80 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
Synonyms:	PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
Definition date:	2002-05-10
Last modified:	2021-03-01
Identifier:	(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

CQL

CQL
Name:	5-chloro-7-iodoquinolin-8-ol
Formula:	C9 H5 Cl I N O
SMILES:	Ic1c(O)c2ncccc2c(Cl)c1
InChi:	InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Synonyms:	Clioquinol
Definition date:	2009-10-28
Last modified:	2021-03-01
Identifier:	5-chloro-7-iodoquinolin-8-ol

CS1

CS1
Name:	S-(2-ANILINYL-SULFANYL)-CYSTEINE
Formula:	C9 H12 N2 O2 S2
SMILES:	O=C(O)C(N)CSSc1ccccc1N
InChi:	InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1
Synonyms:	3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE
Definition date:	2007-02-02
Last modified:	2021-03-01
Identifier:	3-[(2-aminophenyl)disulfanyl]-L-alanine

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