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EP2

EP2
Name:	methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate
Formula:	C26 H41 N5 O10
SMILES:	O=C(NC(C(=O)N1C(C(=O)O)CCC1)CC(C)C)C2OC2C(=O)NC(C(=O)NCC(=O)NCC(=O)OC)CC(C)C
InChi:	InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1
Synonyms:	NS-134
Definition date:	2008-03-25
Last modified:	2021-03-01
Identifier:	methyl N-{[(2S,3S)-3-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]carbamoyl}oxiran-2-yl]carbonyl}-L-leucylglycylglycinate

EPB

EPB
Name:	7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE
Formula:	C27 H41 N O6 S
SMILES:	O=C1C(C)C(O)C(C)CCCC3(OC3CC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C
InChi:	InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
Synonyms:	EPOTHILONE B
Definition date:	2003-08-07
Last modified:	2021-03-01
Identifier:	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

EPJ

EPJ
Name:	EPIBATIDINE
Formula:	C11 H13 Cl N2
SMILES:	Clc1ncc(cc1)C3CC2NC3CC2
InChi:	InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Synonyms:	(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE
Definition date:	2003-08-06
Last modified:	2021-03-01
Identifier:	(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

EPR

EPR
Name:	{5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Formula:	C15 H13 N O3 S2
SMILES:	S=C1S/C(C(=O)N1CC(=O)O)=C/C(=C/c2ccccc2)C
InChi:	InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8?
Synonyms:	Epalrestat
Definition date:	2013-03-25
Last modified:	2021-03-01
Release date:	2013-10-23
Identifier:	{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid

7JU

7JU
Name:	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:	C14 H8 F2 N2 O2
SMILES:	Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:	InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20)
Synonyms:	7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JV

7JV
Name:	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one
Formula:	C16 H14 N2 O3
SMILES:	COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2
InChi:	InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)
Synonyms:	8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one

7LX

7LX
Name:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
Formula:	C20 H20 N2 O4
SMILES:	CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O
InChi:	InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1
Synonyms:	2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid
Definition date:	2016-12-13
Last modified:	2021-03-01
Release date:	2017-06-21
Identifier:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid

7NA

7NA
Name:	2-hydroxy-7-methoxy-5-methyl naphthoic acid
Formula:	C13 H12 O4
SMILES:	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
InChi:	InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
Synonyms:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2021-03-01
Identifier:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

7PD

7PD
Name:	2-aminopteridine-4,7(3H,8H)-dione
Formula:	C6 H5 N5 O2
SMILES:	C2=NC=1C(=O)NC(=NC=1NC2=O)N
InChi:	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
Synonyms:	isoxanthopterin
Definition date:	2016-11-28
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	2-aminopteridine-4,7(3H,8H)-dione

7PH

7PH
Name:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Formula:	C29 H57 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
InChi:	InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate

7S1

7S1
Name:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine
Formula:	C19 H17 N5
SMILES:	C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3
InChi:	InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1
Synonyms:	antagonist A804598
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-04
Identifier:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine

7S4

7S4
Name:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
Formula:	C26 H30 N6 O3
SMILES:	c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1
Synonyms:	antagonist A740003
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

7VJ

7VJ
Name:	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one
Formula:	C5 H7 N5 O2
SMILES:	N(=O)C1=C(N=C(N)NC1=O)NC
InChi:	InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
Synonyms:	6-METHYLAMINO-5-NITROSOISOCYTOSINE
Definition date:	2016-12-08
Last modified:	2021-03-01
Release date:	2017-12-06
Identifier:	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one

7WB

7WB
Name:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole
Formula:	C11 H8 N2 S1
SMILES:	N1C=CSC1=C2C=Nc3ccccc23
InChi:	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+
Synonyms:	Camalexin
Definition date:	2015-06-15
Last modified:	2021-03-01
Release date:	2016-06-29
Identifier:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole

GCA

GCA
Name:	6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
Formula:	C19 H26 N2 O3
SMILES:	O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C
InChi:	InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
Synonyms:	GCA-186
Definition date:	1999-07-26
Last modified:	2021-03-01
Identifier:	6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione

GCZ

GCZ
Name:	N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
Formula:	C15 H21 N3 O3 S
SMILES:	O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C
InChi:	InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+
Synonyms:	gliclazide
Definition date:	2015-04-30
Last modified:	2021-03-01
Release date:	2015-11-25
Identifier:	N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide

GD4

GD4
Name:	(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:	C24 H27 N O5 S
SMILES:	C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C
InChi:	InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1
Synonyms:	Troglitazone (isoform)
Definition date:	2018-05-18
Last modified:	2021-03-01
Release date:	2019-05-22
Identifier:	(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

GDU

GDU
Name:	GALACTOSE-URIDINE-5'-DIPHOSPHATE
Formula:	C15 H24 N2 O17 P2
SMILES:	O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
Synonyms:	UDP-D-GALACTOPYRANOSE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

GDZ

GDZ
Name:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
Formula:	C21 H21 F N6 O
SMILES:	CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4
InChi:	InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3
Synonyms:	SMN-C5
Definition date:	2018-09-12
Last modified:	2021-03-01
Release date:	2019-08-14
Identifier:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

GEQ

GEQ
Name:	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE
Formula:	C26 H23 N3 O
SMILES:	O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6
InChi:	InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
Synonyms:	GENZ-10850
Definition date:	2003-08-30
Last modified:	2021-03-01
Identifier:	5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole

GET

GET
Name:	GENETICIN
Formula:	C20 H40 N4 O10
SMILES:	O(C2C(O)C(OC1OC(C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:	InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
Synonyms:	G418
Definition date:	2002-10-02
Last modified:	2021-03-01
Identifier:	(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranoside

GFL

GFL
Name:	2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:	C10 H13 F N5 O7 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:	InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1
Synonyms:	2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
Definition date:	2006-09-07
Last modified:	2021-03-01
Identifier:	2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

GFT

GFT
Name:	(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
Formula:	C10 H20 N O5 P
SMILES:	O=C(O)C(N)COP(=O)(OC1CCCCC1)C
InChi:	InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
Synonyms:	Cyclosarin bound Serine
Definition date:	2013-02-04
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine

GGM

GGM
Name:	3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
Formula:	C18 H24 N7 O14 P3
SMILES:	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC
InChi:	InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1
Synonyms:	MANT-GMPPNP
Definition date:	2011-08-03
Last modified:	2021-03-01
Identifier:	5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine

GHA

GHA
Name:	1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT
Formula:	C9 H18 N O9 S
SMILES:	[O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO
InChi:	InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1
Synonyms:	GHAVAMIOL
Definition date:	2004-06-22
Last modified:	2021-03-01
Identifier:	({[(1S,2R)-3-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide

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