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C6P

C6P
Name:	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
Formula:	C11 H17 N2 O7 P S
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS
InChi:	InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1
Synonyms:	4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
Definition date:	2006-09-22
Last modified:	2021-03-01
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine

C7G

C7G
Name:	[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C25 H36 N10 O23 P4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1
Synonyms:	DIADPR
Definition date:	2017-09-15
Last modified:	2021-03-01
Release date:	2019-01-09
Identifier:	[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

C7H

C7H
Name:	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
Formula:	C21 H21 N
SMILES:	CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
InChi:	InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
Synonyms:	Cyproheptadine
Definition date:	2015-08-25
Last modified:	2021-03-01
Release date:	2016-04-27
Identifier:	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine

C7R

C7R
Name:	2'-deoxy-5'-O-thiophosphonocytidine
Formula:	C9 H14 N3 O6 P S
SMILES:	P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Synonyms:	2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1)
Definition date:	2016-04-28
Last modified:	2021-03-01
Release date:	2016-06-22
Identifier:	2'-deoxy-5'-O-thiophosphonocytidine

C7S

C7S
Name:	2'-deoxy-5'-O-thiophosphonocytidine
Formula:	C9 H14 N3 O6 P S
SMILES:	P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Synonyms:	2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2)
Definition date:	2016-04-28
Last modified:	2021-03-01
Release date:	2016-06-22
Identifier:	2'-deoxy-5'-O-thiophosphonocytidine

C93

C93
Name:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
Formula:	C13 H15 N O5
SMILES:	O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChi:	InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
Synonyms:	3-(4-hydroxypiperidine-1-yl) phthalic acid
Definition date:	2014-08-19
Last modified:	2021-03-01
Release date:	2014-10-15
Identifier:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid

C9C

C9C
Name:	4-(2-hydroxyethyloxycarbonyl)benzoic acid
Formula:	C10 H10 O5
SMILES:	OCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
Synonyms:	monohydroxyethyl terephthalate
Definition date:	2019-04-16
Last modified:	2021-03-01
Release date:	2020-04-15
Identifier:	4-(2-hydroxyethyloxycarbonyl)benzoic acid

F4S

F4S
Name:	FE4-S3 CLUSTER
Formula:	Fe4 S3
SMILES:	[Fe]\|1\|2\|S3[Fe]S\|1[Fe]S\|2[Fe]3
InChi:	InChI=1S/4Fe.3S
Synonyms:	T-CLUSTER
Definition date:	2011-04-14
Last modified:	2021-03-01

F5M

F5M
Name:	5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Formula:	C24 H13 N O7
SMILES:	O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5
InChi:	InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)
Synonyms:	fluorescein-5-maleimide
Definition date:	2010-04-13
Last modified:	2021-03-01
Identifier:	5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

F5R

F5R
Name:	4-bromanylbenzenecarboximidamide
Formula:	C7 H7 Br N2
SMILES:	NC(=N)c1ccc(Br)cc1
InChi:	InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:	4-Bromobenzamidine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	4-bromanylbenzenecarboximidamide

F5U

F5U
Name:	2-(5-methoxy-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2 O
SMILES:	COc1ccc2[nH]cc(CCN)c2c1
InChi:	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:	5-Methoxytryptamine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	2-(5-methoxy-1~{H}-indol-3-yl)ethanamine

F5X

F5X
Name:	2-(6-methoxy-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2 O
SMILES:	COc1ccc2c(CCN)c[nH]c2c1
InChi:	InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:	6-Methoxytryptamine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	2-(6-methoxy-1~{H}-indol-3-yl)ethanamine

198

198
Name:	R-BICALUTAMIDE
Formula:	C18 H14 F4 N2 O4 S
SMILES:	O=C(Nc1cc(c(C#N)cc1)C(F)(F)F)C(O)(C)CS(=O)(=O)c2ccc(F)cc2
InChi:	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
Synonyms:	(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE
Definition date:	2005-04-07
Last modified:	2021-03-01
Identifier:	(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

F77

F77
Name:	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Formula:	C16 H16 F N O4 S
SMILES:	O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
InChi:	InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
Synonyms:	3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Definition date:	2007-02-06
Last modified:	2021-03-01
Identifier:	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid

1AL

1AL
Name:	ALLANTOATE ION
Formula:	C4 H7 N4 O4
SMILES:	O=C(NC(C([O-])=O)NC(=O)N)N
InChi:	InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
Synonyms:	DIUREIDO-ACETATE
Definition date:	2005-03-16
Last modified:	2021-03-01
Identifier:	bis(carbamoylamino)acetate

1AU

1AU
Name:	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
Formula:	C24 H25 N5 O
SMILES:	O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C
InChi:	InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
Synonyms:	1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-naphthalen-1-yl-urea
Definition date:	2008-11-05
Last modified:	2021-03-01
Identifier:	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea

F89

F89
Name:	S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID
Formula:	C27 H24 N4 O6
SMILES:	O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O
InChi:	InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1
Synonyms:	FOLATE ANALOG 1843U89
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid

F8M

F8M
Name:	2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Formula:	C18 H19 N3 O4
SMILES:	CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3
InChi:	InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
Synonyms:	7-[3-(dimethylamino)propyl] Analog of Amlexanox
Definition date:	2018-03-15
Last modified:	2021-03-01
Release date:	2018-12-05
Identifier:	2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid

FAC

FAC
Name:	1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL
Formula:	C3 H2 F6 O2
SMILES:	FC(F)(F)C(O)(O)C(F)(F)F
InChi:	InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
Synonyms:	HEXAFLUOROACETONE HYDRATE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1,1,1,3,3,3-hexafluoropropane-2,2-diol

FBD

FBD
Name:	N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid
Formula:	C16 H19 F N2 O7 S
SMILES:	Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1
Synonyms:	(S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid
Definition date:	2008-06-05
Last modified:	2021-03-01
Identifier:	N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid

FBI

FBI
Name:	7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID
Formula:	C22 H30 F N3 O6 S
SMILES:	O=S(=O)(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O)c2ccc(F)cc2)C)C
InChi:	InChI=1S/C22H30FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-8,13,16-17,27-28H,9-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1
Synonyms:	ROSUVASTATIN
Definition date:	2001-01-17
Last modified:	2021-03-01
Identifier:	(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid

FBJ

FBJ
Name:	N-hydroxycyclopent-1-ene-1-carboxamide
Formula:	C6 H9 N O2
SMILES:	C(=O)(C1=CCCC1)NO
InChi:	InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)
Synonyms:	cyclopentenylhydroxamate
Definition date:	2018-03-22
Last modified:	2021-03-01
Release date:	2018-05-30
Identifier:	N-hydroxycyclopent-1-ene-1-carboxamide

FC6

FC6
Name:	HEXACYANOFERRATE(3-)
Formula:	C6 Fe N6
SMILES:	N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
InChi:	InChI=1S/6CN.Fe/c6*1-2
Synonyms:	FERRI(III)HEXACYANIDE
Definition date:	2006-10-19
Last modified:	2021-03-01
Identifier:	hexakis(cyano-kappaC)iron

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

0G7

0G7
Name:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide
Formula:	C21 H31 Cl N6 O3
SMILES:	O=C(NC(C(=O)CCl)CCCNC(=[N@H])N)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1
Synonyms:	d-Phe-Pro-Arg chloromethylketone (PPACK)
Definition date:	2010-11-03
Last modified:	2021-03-01
Identifier:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide

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