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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

SRG

SRG
Name:	(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid
Formula:	C24 H39 N5 O6
SMILES:	O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC=C1)C(C)C)C(C)C)C(C)C
InChi:	InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10?/t16-,17+,19+,20+/m1/s1
Synonyms:	Syringolin A
Definition date:	2007-11-20
Last modified:	2021-03-01
Identifier:	N-{[(1S)-2-methyl-1-{[(3E,5S,8S,9E)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}propyl]carbamoyl}-L-valine

SSO

SSO
Name:	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:	C9 H18 O9 S2
SMILES:	[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:	InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1
Synonyms:	SALACINOL
Definition date:	2004-06-22
Last modified:	2021-03-01
Identifier:	({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

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

SU1

SU1
Name:	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Formula:	C17 H16 N2 O3
SMILES:	O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
InChi:	InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
Synonyms:	SU5402
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

SU9

SU9
Name:	(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
Formula:	C13 H11 N3 O2
SMILES:	O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:	InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
Synonyms:	SU9516
Definition date:	2003-05-27
Last modified:	2021-03-01
Identifier:	(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one

SUA

SUA
Name:	(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
Formula:	C13 H14 N2 O3 S3
SMILES:	O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:	InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
Synonyms:	Carbonic Anhydrase II inhibitor 16923
Definition date:	2002-06-06
Last modified:	2021-03-01
Identifier:	O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate

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

7PE

7PE
Name:	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Formula:	C14 H30 O7
SMILES:	O(CCOCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3
Synonyms:	POLYETHYLENE GLYCOL FRAGMENT
Definition date:	2005-12-28
Last modified:	2021-03-01
Identifier:	3,6,9,12,15,18-hexaoxaicosan-1-ol

FGT

FGT
Name:	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Formula:	C20 H14 O4
SMILES:	Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
InChi:	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
Synonyms:	phenolphthalein
Definition date:	2018-06-30
Last modified:	2021-03-01
Release date:	2019-06-05
Identifier:	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

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

FIH

FIH
Name:	5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Formula:	C18 H14 F N O4 S2
SMILES:	O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3
InChi:	InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)
Synonyms:	5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
Definition date:	2005-10-06
Last modified:	2021-03-01
Identifier:	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

FII

FII
Name:	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
Formula:	C17 H30 N O5 P
SMILES:	O=C(NOCC=C(/C)CCC=C(/C)CCC=C(/C)C)CP(=O)(O)O
InChi:	InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
Synonyms:	FPP ANALOG
Definition date:	1999-10-27
Last modified:	2021-03-01
Identifier:	[2-oxo-2-({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}amino)ethyl]phosphonic acid

FIR

FIR
Name:	(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:	C12 H10 F N3 O4
SMILES:	Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:	InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
Synonyms:	FIDARESTAT(STEREOISOMER)
Definition date:	2004-08-24
Last modified:	2021-03-01
Identifier:	(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

FIS

FIS
Name:	(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:	C12 H10 F N3 O4
SMILES:	Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:	InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1
Synonyms:	FIDARESTAT(STEREOISOMER)
Definition date:	2004-08-24
Last modified:	2021-03-01
Identifier:	(2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

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

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

FJR

FJR
Name:	2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide
Formula:	C17 H14 N2 O3
SMILES:	Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)cc1
InChi:	InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-
Synonyms:	8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide
Definition date:	2020-05-27
Last modified:	2021-03-01
Release date:	2020-09-23
Identifier:	2-azanylidene-~{N}-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide

FJU

FJU
Name:	2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide
Formula:	C18 H16 N2 O3
SMILES:	CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1
InChi:	InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-
Synonyms:	N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide
Definition date:	2020-05-27
Last modified:	2021-03-01
Release date:	2020-09-23
Identifier:	2-azanylidene-~{N}-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide

FK5

FK5
Name:	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
Formula:	C44 H69 N O12
SMILES:	O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC=C
InChi:	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Synonyms:	K506
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

FLI

FLI
Name:	(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Formula:	C35 H58 O9
SMILES:	CCCCCC[CH]1[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC=CC[CH](C)OC1=O)C
InChi:	InChI=1S/C35H58O9/c1-4-5-6-15-18-32-34(42)24-31(40)22-29(38)20-27(36)19-28(37)21-30(39)23-33(41)25(2)16-13-11-9-7-8-10-12-14-17-26(3)44-35(32)43/h7-14,16,26-34,36-42H,4-6,15,17-24H2,1-3H3/b9-7+,10-8+,13-11+,14-12+,25-16+/t26-,27+,28-,29+,30-,31+,32-,33+,34+/m1/s1
Synonyms:	Filipin I
Definition date:	2009-12-09
Last modified:	2021-03-01
Identifier:	(3R,5E,7E,9E,11E,13E,15S,17R,19R,21R,23S,25S,27S,28R)-28-hexyl-15,17,19,21,23,25,27-heptahydroxy-3,14-dimethyl-2-oxacyclooctacosa-5,7,9,11,13-pentaen-1-one

FLQ

FLQ
Name:	N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE
Formula:	C29 H28 N2 O7
SMILES:	O=C(NCCCCCCNC(=O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5)C
InChi:	InChI=1S/C29H28N2O7/c1-17(32)30-12-4-2-3-5-13-31-27(35)18-6-9-21-24(14-18)29(38-28(21)36)22-10-7-19(33)15-25(22)37-26-16-20(34)8-11-23(26)29/h6-11,14-16,33-34H,2-5,12-13H2,1H3,(H,30,32)(H,31,35)
Synonyms:	FLUORESCEIN ADDUCT
Definition date:	2006-01-23
Last modified:	2021-03-01
Identifier:	N-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide

FM0

FM0
Name:	(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
Formula:	C6 H13 F O10 P2
SMILES:	O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O
InChi:	InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1
Synonyms:	6-fluoromevalonate 5-diphosphate
Definition date:	2011-02-24
Last modified:	2021-03-01
Identifier:	(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid

4PI

4PI
Name:	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE
Formula:	C20 H23 N O
SMILES:	O=C(c1ccc(cc1)C)N3CCC(Cc2ccccc2)CC3
InChi:	InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
Synonyms:	(4-BENZYLPIPERIDIN-1-YL)(P-TOLYL)METHANONE
Definition date:	2006-11-07
Last modified:	2021-03-01
Identifier:	4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine

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