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114

114
Name:	(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
Formula:	C23 H36 O6
SMILES:	O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C
InChi:	InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1
Synonyms:	Hydrolyzed Compactin
Definition date:	2001-01-15
Last modified:	2020-06-17
Identifier:	(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

115

115
Name:	(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Formula:	C24 H26 F N O4
SMILES:	c12ccccc1n(c(c2c3ccc(cc3)F)C=CC(CC(O)CC(=O)O)O)C(C)C
InChi:	InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
Synonyms:	FLUVASTATIN
Definition date:	2001-01-16
Last modified:	2020-06-17
Identifier:	(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

116

116
Name:	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
Formula:	C26 H36 F N O5
SMILES:	O=C(O)CC(O)CC(O)CCc1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C
InChi:	InChI=1S/C26H36FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-9,15-16,19-20,29-30H,10-14H2,1-5H3,(H,31,32)/t19-,20-/m1/s1
Synonyms:	CERIVASTATIN
Definition date:	2001-01-16
Last modified:	2020-06-17
Identifier:	(3R,5R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)pyridin-3-yl]-3,5-dihydroxyheptanoic acid

117

117
Name:	7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
Formula:	C33 H35 F N2 O5
SMILES:	O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C
InChi:	InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
Synonyms:	ATORVASTATIN
Definition date:	2001-01-17
Last modified:	2020-06-17
Identifier:	(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

11D

11D
Name:	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
Formula:	C23 H34 N2 O4 S
SMILES:	O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C
InChi:	InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)
Synonyms:	11-(Dansylamino)undecanoic acid
Definition date:	2010-07-20
Last modified:	2020-06-17
Identifier:	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid

11F

11F
Name:	5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Formula:	C22 H22 N4 O
SMILES:	C(#CC(c2ccc(c1ccccc1)c(OC)c2)C)c3c(nc(nc3C)N)N
InChi:	InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1
Synonyms:	2,4-Diamino-5-[3S-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine
Definition date:	2009-01-13
Last modified:	2020-06-17
Identifier:	5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

FNR

FNR
Name:	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
Formula:	C17 H23 N4 O9 P
SMILES:	c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O
InChi:	InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
Synonyms:	TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE
Definition date:	2006-02-10
Last modified:	2020-06-17
Identifier:	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol

11U

11U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
Formula:	C21 H31 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCC2)CCC3
InChi:	InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1
Synonyms:	(2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide
Definition date:	2007-12-04
Last modified:	2020-06-17
Identifier:	N-cyclohexylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

FO1

FO1
Name:	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
Formula:	C16 H17 N3 O7
SMILES:	O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1
Synonyms:	7,8-didemethyl-8-hydroxy-5-deazariboflavin
Definition date:	2008-02-01
Last modified:	2020-06-17
Identifier:	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol

11W

11W
Name:	(4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid
Formula:	C20 H21 N3 O4
SMILES:	O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2
InChi:	InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1
Synonyms:	trans-GluAzo
Definition date:	2012-10-01
Last modified:	2020-06-17
Release date:	2013-09-25
Identifier:	(4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid

FOM

FOM
Name:	3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID
Formula:	C4 H10 N O5 P
SMILES:	O=P(O)(O)CCCN(O)C=O
InChi:	InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
Synonyms:	FOSMIDOMYCIN
Definition date:	2003-03-05
Last modified:	2020-06-17
Identifier:	{3-[formyl(hydroxy)amino]propyl}phosphonic acid

FON

FON
Name:	N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
Formula:	C20 H23 N7 O7
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O
InChi:	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1
Synonyms:	[6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE
Definition date:	1999-07-09
Last modified:	2020-06-17
Identifier:	N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid

12J

12J
Name:	2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide
Formula:	C16 H16 I N O2
SMILES:	CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1
InChi:	InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)
Synonyms:	2-Iodo-N-(3-isopropoxyphenyl)benzamide
Definition date:	2010-02-19
Last modified:	2020-06-17
Identifier:	2-iodo-N-(3-propan-2-yloxyphenyl)benzamide

FOT

FOT
Name:	5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
Formula:	C5 H3 F N2 O4
SMILES:	O=C(O)C1=C(F)C(=O)NC(=O)N1
InChi:	InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
Synonyms:	5-FLUOROOROTIC ACID
Definition date:	2006-11-09
Last modified:	2020-06-17
Identifier:	5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

FOU

FOU
Name:	(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C4 H7 F N2 O3
SMILES:	FC1C(O)NC(=O)NC1O
InChi:	InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1
Synonyms:	(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE
Definition date:	2006-09-05
Last modified:	2020-06-17
Identifier:	(4R,6R)-5-fluoro-4,6-dihydroxytetrahydropyrimidin-2(1H)-one

12Q

12Q
Name:	1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C10 H9 N O
SMILES:	O=C2C=Cc1c(cccc1)N2C
InChi:	InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
Synonyms:	1-METHYL-2-QUINOLONE
Definition date:	2005-11-29
Last modified:	2020-06-17
Identifier:	1-methylquinolin-2(1H)-one

FPH

FPH
Name:	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
Formula:	C18 H12 F N3 O
SMILES:	Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4
InChi:	InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H
Synonyms:	3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE
Definition date:	2003-04-09
Last modified:	2020-06-17
Identifier:	3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-1-ol

FPY

FPY
Name:	(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE
Formula:	C4 H5 F N2 O2
SMILES:	FC1=CNC(=O)NC1O
InChi:	InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1
Synonyms:	5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE
Definition date:	2003-11-10
Last modified:	2020-06-17
Identifier:	(4S)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

13X

13X
Name:	benzene-1,3,5-triol
Formula:	C6 H6 O3
SMILES:	Oc1cc(O)cc(O)c1
InChi:	InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
Synonyms:	Phloroglucinol
Definition date:	2012-10-05
Last modified:	2020-06-17
Release date:	2012-10-19
Identifier:	benzene-1,3,5-triol

141

141
Name:	Oxypurinol
Formula:	C5 H4 N4 O2
SMILES:	O=C1N=C2C(C(=O)N1)=CNN2
InChi:	InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
Synonyms:	Alloxanthine
Definition date:	2001-08-21
Last modified:	2020-06-17
Identifier:	1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione

FR2

FR2
Name:	1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C14 H17 N3 O2
SMILES:	O=C(c1ncn(c1)C(CO)CCc2ccccc2)N
InChi:	InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1
Synonyms:	FR221647
Definition date:	2002-12-13
Last modified:	2020-06-17
Identifier:	1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide

FR3

FR3
Name:	1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C18 H19 N3 O2
SMILES:	O=C(c1ncn(c1)C(CO)CCc3c2ccccc2ccc3)N
InChi:	InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1
Synonyms:	FR230513
Definition date:	2002-12-13
Last modified:	2020-06-17
Identifier:	1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide

FR7

FR7
Name:	1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C15 H17 Cl2 N3 O2
SMILES:	Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C
InChi:	InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1
Synonyms:	FR239087
Definition date:	2003-12-16
Last modified:	2020-06-17
Identifier:	1-{(1R,2S)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl}-1H-imidazole-4-carboxamide

FR9

FR9
Name:	1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C24 H26 N6 O3
SMILES:	O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)NCc4ccccc4
InChi:	InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1
Synonyms:	FR236913
Definition date:	2003-10-05
Last modified:	2020-06-17
Identifier:	1-[(1R)-3-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide

155

155
Name:	6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Formula:	C24 H24 N4 O
SMILES:	O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4
InChi:	InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)
Synonyms:	6-[N-(1-ISOPROPYL-3,4-DIHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Definition date:	2003-04-09
Last modified:	2020-06-17
Identifier:	6-carbamimidoyl-N-[1-(1-methylethyl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide

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