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331

331
Name:	(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID
Formula:	C27 H36 F2 N2 O4
SMILES:	Fc1ccc(c(F)c1)NC(=O)N(CCCCCCC)CCc2ccc(OC(C(=O)O)(CC)C)cc2
InChi:	InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1
Synonyms:	GW2331
Definition date:	2004-11-24
Last modified:	2020-06-17
Identifier:	(2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acid

EDC

EDC
Name:	N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
Formula:	C11 H14 N3 O7 P
SMILES:	O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O
InChi:	InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1
Synonyms:	6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one

334

334
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE
Formula:	C15 H13 Br N4 O
SMILES:	Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C
InChi:	InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)
Synonyms:	CRA_9334
Definition date:	2003-03-14
Last modified:	2020-06-17
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate

EDS

EDS
Name:	(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
Formula:	C25 H48 N6 O10
SMILES:	C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O
InChi:	InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1
Synonyms:	plazomicin
Definition date:	2018-01-02
Last modified:	2020-06-17
Release date:	2018-01-31
Identifier:	(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide

FLR

FLR
Name:	(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
Formula:	C15 H13 F O2
SMILES:	C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
InChi:	InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
Synonyms:	Flurbirprofen, R-form
Definition date:	2011-03-29
Last modified:	2020-06-17
Identifier:	(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid

FLU

FLU
Name:	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID
Formula:	C20 H12 O5
SMILES:	O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3
InChi:	InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
Synonyms:	FLUORESCEIN
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

FLV

FLV
Name:	FLAVIOLIN
Formula:	C10 H6 O5
SMILES:	O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2
InChi:	InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
Synonyms:	2,5,7-TRIHYDROXYNAPHTHOQUINONE
Definition date:	2004-06-14
Last modified:	2020-06-17
Identifier:	2,5,7-trihydroxynaphthalene-1,4-dione

FM1

FM1
Name:	2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Formula:	C11 H15 N5 O4
SMILES:	OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC
InChi:	InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1
Synonyms:	N7-METHYL-FORMYCIN A
Definition date:	2001-11-12
Last modified:	2020-06-17
Identifier:	(1S)-1,4-anhydro-1-[7-(methylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-ribitol

FM2

FM2
Name:	2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:	C11 H16 N5 O4
SMILES:	OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C
InChi:	InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1
Synonyms:	6-METHYL-FORMYCIN A
Definition date:	2001-11-12
Last modified:	2020-06-17
Identifier:	(1S)-1-(7-amino-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-6-ium-3-yl)-1,4-anhydro-D-ribitol

346

346
Name:	(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
Formula:	C21 H24 F N3 O5
SMILES:	O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3
InChi:	InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1
Synonyms:	(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID
Definition date:	2005-08-11
Last modified:	2020-06-17
Identifier:	(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid

34G

34G
Name:	emetine
Formula:	C29 H40 N2 O4
SMILES:	O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C
InChi:	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1
Synonyms:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan
Definition date:	2014-06-16
Last modified:	2020-06-17
Release date:	2014-07-16
Identifier:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan

FMX

FMX
Name:	FAMOXADONE
Formula:	C22 H18 N2 O4
SMILES:	O=C2OC(C(=O)N2Nc1ccccc1)(c4ccc(Oc3ccccc3)cc4)C
InChi:	InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1
Synonyms:	5-METHYL-5-(4-PHENOXYPHENYL)-3-(PHENYLAMINO)-2,4-OXAZOLIDINEDIONE
Definition date:	2002-02-25
Last modified:	2020-06-17
Identifier:	(5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione

356

356
Name:	8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione
Formula:	C25 H28 N8 O2
SMILES:	O=C2N(c1nc(n(c1C(=O)N2Cc4nc3ccccc3c(n4)C)CC#CC)N5CCCC(N)C5)C
InChi:	InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
Synonyms:	Linagliptin
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

35I

35I
Name:	(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one
Formula:	C27 H27 F3 N6 O3
SMILES:	FC(F)(F)CCC4c1c(cccc1)C=NN4C(=O)C=Cc2cc(cc(OC)c2OC)Cc3cnc(nc3N)N
InChi:	InChI=1S/C27H27F3N6O3/c1-38-22-13-16(12-19-14-33-26(32)35-25(19)31)11-17(24(22)39-2)7-8-23(37)36-21(9-10-27(28,29)30)20-6-4-3-5-18(20)15-34-36/h3-8,11,13-15,21H,9-10,12H2,1-2H3,(H4,31,32,33,35)/b8-7+/t21-/m0/s1
Synonyms:	(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl)pro p-2-en-1-one
Definition date:	2012-04-17
Last modified:	2020-06-17
Release date:	2013-02-08
Identifier:	(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl]prop-2-en-1-one

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

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

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

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

37A

37A
Name:	(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE
Formula:	C20 H21 N3 O5
SMILES:	O=C(N4CC3OC(C(=O)NCc2ccc(c1ccccc1)cc2)C(O3)C4)NO
InChi:	InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1
Synonyms:	(1S,5S,7R)-3-AZA-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-3,7-DICARBOXYLIC ACID 7-[(BIPHENYL-4-YLMETHYL)-AMIDE]-3-HYDROXYAMIDE
Definition date:	2006-08-04
Last modified:	2020-06-17
Identifier:	(1S,5S,7R)-N~7~-(biphenyl-4-ylmethyl)-N~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide

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

388

388
Name:	(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID
Formula:	C16 H12 Br Cl F N O4
SMILES:	Brc1cc(F)c(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:	InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
Synonyms:	IDD388
Definition date:	2006-10-05
Last modified:	2020-06-17
Identifier:	{2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

38O

38O
Name:	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
Formula:	C21 H21 F N6 O
SMILES:	Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4
InChi:	InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Synonyms:	Dovitinib
Definition date:	2014-07-09
Last modified:	2020-06-17
Release date:	2014-09-24
Identifier:	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one

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