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FRG

FRG
Name:	2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER
Formula:	C26 H30 N4 O3
SMILES:	O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc3ccc(C#Cc2ccccc2)cc3
InChi:	InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1
Synonyms:	(R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER
Definition date:	2002-07-03
Last modified:	2021-03-01
Identifier:	methyl N-{[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}-4-(phenylethynyl)-L-phenylalaninate

NUZ

NUZ
Name:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
Formula:	C21 H19 Cl N4 O4
SMILES:	[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
InChi:	InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
Synonyms:	nucleozin
Definition date:	2014-12-16
Last modified:	2021-03-01
Release date:	2015-12-16
Identifier:	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

FRK

FRK
Name:	N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE
Formula:	C21 H22 N2 O3 S
SMILES:	O=C(Nc2nc(c1ccc(O)cc1)c(s2)c3ccc(O)cc3)CCCCC
InChi:	InChI=1S/C21H22N2O3S/c1-2-3-4-5-18(26)22-21-23-19(14-6-10-16(24)11-7-14)20(27-21)15-8-12-17(25)13-9-15/h6-13,24-25H,2-5H2,1H3,(H,22,23,26)
Synonyms:	FR104783
Definition date:	2005-02-07
Last modified:	2021-03-01
Identifier:	N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide

FRL

FRL
Name:	1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C22 H21 Cl N4 O3
SMILES:	O=C(N)c1ncn(c1)C(C(O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4
InChi:	InChI=1S/C22H21ClN4O3/c1-13(28)19(27-11-18(21(24)29)25-12-27)10-7-14-3-2-4-17-20(14)30-22(26-17)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,19,28H,7,10H2,1H3,(H2,24,29)/t13-,19-/m0/s1
Synonyms:	FR266364
Definition date:	2005-02-07
Last modified:	2021-03-01
Identifier:	1-[(1S,2S)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl]-1H-imidazole-4-carboxamide

NVE

NVE
Name:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
Formula:	C27 H33 N4 O5 P
SMILES:	O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC
InChi:	InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3
Synonyms:	nevirapine phosphonate analogue
Definition date:	2012-12-03
Last modified:	2021-03-01
Release date:	2013-02-15
Identifier:	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate

1KN

1KN
Name:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
Formula:	C12 H17 N O3
SMILES:	OC2C(c1ccc(OC)cc1)NC(C)C2O
InChi:	InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1
Synonyms:	N-desmethyl-4-epi-(+)-Codonopsinine
Definition date:	2013-03-08
Last modified:	2021-03-01
Release date:	2013-09-18
Identifier:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

1KX

1KX
Name:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Formula:	C14 H18 N6 O
SMILES:	n1c(c2ncn(c2nc1N)C3C=CC(CO)C3)NC4CC4
InChi:	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
Synonyms:	Abacavir
Definition date:	2011-12-06
Last modified:	2021-03-01
Identifier:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol

FSJ

FSJ
Name:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
Formula:	C19 H35 F N4 O7
SMILES:	C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)OC3OCC(C(C3O)NC)(C)O)N)N
InChi:	InChI=1S/C19H35FN4O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,21-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:	6'-fluoro sisomicin
Definition date:	2018-01-04
Last modified:	2021-03-01
Release date:	2018-05-30
Identifier:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside

1LD

1LD
Name:	5-fluorocytosine
Formula:	C4 H4 F N3 O
SMILES:	FC1=CNC(=O)N=C1N
InChi:	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
Synonyms:	4-amino-5-fluoropyrimidin-2(1H)-one
Definition date:	2013-03-18
Last modified:	2021-03-01
Release date:	2014-03-19
Identifier:	4-amino-5-fluoropyrimidin-2(1H)-one

ZXY

ZXY
Name:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
Formula:	C32 H30 N2 O11
SMILES:	N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:	InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1
Synonyms:	Montbretin A analogue M06-MbA
Definition date:	2019-03-25
Last modified:	2021-03-01
Release date:	2020-02-12
Identifier:	N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide

FST

FST
Name:	O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate
Formula:	C11 H17 O4 P S2
SMILES:	O=S(c1ccc(OP(=S)(OCC)OCC)cc1)C
InChi:	InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3/t18-/m1/s1
Synonyms:	Fensulfothion
Definition date:	2011-11-15
Last modified:	2021-03-01
Release date:	2012-09-28
Identifier:	O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate

1LP

1LP
Name:	TRANYLCYPROMINE
Formula:	C9 H10 O
SMILES:	O=CC(c1ccccc1)C
InChi:	InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
Synonyms:	(2S)-2-PHENYLPROPANAL
Definition date:	2003-07-08
Last modified:	2021-03-01
Identifier:	(2S)-2-phenylpropanal

ZYC

ZYC
Name:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:	C12 H14 O4
SMILES:	O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:	ethyl ferulate
Definition date:	2010-10-29
Last modified:	2021-03-01
Identifier:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

FTE

FTE
Name:	phenylisothiocyanate
Formula:	C7 H5 N S
SMILES:	S=C=Nc1ccccc1
InChi:	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
Synonyms:	isothiocyanatobenzene
Definition date:	2011-02-01
Last modified:	2021-03-01
Identifier:	isothiocyanatobenzene

FTG

FTG
Name:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide
Formula:	C31 H40 N8 O5
SMILES:	O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O)CNCc4ccccc4)N)NCCc5ccc(cc5)O
InChi:	InChI=1S/C31H40N8O5/c32-23(30(43)35-13-12-19-6-9-22(40)10-7-19)11-8-21(16-34-15-20-4-2-1-3-5-20)14-24-26(41)27(42)31(44-24)39-18-38-25-28(33)36-17-37-29(25)39/h1-7,9-10,17-18,21,23-24,26-27,31,34,40-42H,8,11-16,32H2,(H,35,43)(H2,33,36,37)/t21-,23-,24+,26+,27+,31+/m0/s1
Synonyms:	(S)-SKI-72
Definition date:	2018-04-16
Last modified:	2021-03-01
Release date:	2018-05-23
Identifier:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide (non-preferred name)

FTP

FTP
Name:	3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM
Formula:	C12 H13 F3 N4 O4 P S
SMILES:	FC(F)(F)c1nc(c(cn1)C[n+]2c(c(sc2)CCOP([O-])([O-])=O)C)N
InChi:	InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1
Synonyms:	TRIFLUORO-THIAMIN PHOSPHATE
Definition date:	2000-11-14
Last modified:	2021-03-01
Identifier:	2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate

1MM

1MM
Name:	METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
Formula:	C14 H15 N5 O6 S
SMILES:	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
InChi:	InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
Synonyms:	METSULFURON METHYL
Definition date:	2004-07-01
Last modified:	2021-03-01
Identifier:	methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate

NXK

NXK
Name:	2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
Formula:	C16 H15 B F N O6
SMILES:	OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
InChi:	InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21)
Synonyms:	2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
Definition date:	2020-01-06
Last modified:	2021-03-01
Release date:	2021-01-27
Identifier:	2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid

FU9

FU9
Name:	3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid
Formula:	C22 H16 F3 N5 O2
SMILES:	FC(F)(F)c1cc(ccc1)Nc5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4
InChi:	InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)
Synonyms:	CX-5279
Definition date:	2011-03-21
Last modified:	2021-03-01
Identifier:	3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid

1N1

1N1
Name:	N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Formula:	C22 H26 Cl N7 O2 S
SMILES:	Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C
InChi:	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
Synonyms:	Dasatinib
Definition date:	2006-04-24
Last modified:	2021-03-01
Identifier:	N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide

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

FUN

FUN
Name:	5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID
Formula:	C12 H11 Cl N2 O5 S
SMILES:	O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2
InChi:	InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
Synonyms:	Furosemide
Definition date:	2005-09-13
Last modified:	2021-03-01
Identifier:	4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid

FUP

FUP
Name:	2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE
Formula:	C9 H13 F N2 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2F
InChi:	InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Synonyms:	FUDP
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2',3'-dideoxy-3'-fluorouridine 5'-(trihydrogen diphosphate)

1NP

1NP
Name:	1-NAPHTHOL
Formula:	C10 H8 O
SMILES:	Oc2cccc1ccccc12
InChi:	InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Synonyms:	naphthalen-1-ol
Definition date:	2008-11-21
Last modified:	2021-03-01
Identifier:	naphthalen-1-ol

FVX

FVX
Name:	Fluvoxamine
Formula:	C15 H21 F3 N2 O2
SMILES:	FC(F)(F)c1ccc(C(=NOCCN)CCCCOC)cc1
InChi:	InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
Synonyms:	2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
Definition date:	2012-04-23
Last modified:	2021-03-01
Identifier:	2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine

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