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FTS

FTS
Name:	(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:	C13 H16 F4 N2 O2 S
SMILES:	c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F
InChi:	InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1
Synonyms:	3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:	2006-03-03
Last modified:	2020-06-17
Identifier:	(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

FTT

FTT
Name:	3-HYDROXY-TETRADECANOIC ACID
Formula:	C14 H28 O3
SMILES:	O=C(O)CC(O)CCCCCCCCCCC
InChi:	InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
Synonyms:	3-HYDROXY-MYRISTIC ACID
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(3R)-3-hydroxytetradecanoic acid

0HN

0HN
Name:	1,3-benzodioxole-5-carboxylic acid
Formula:	C8 H6 O4
SMILES:	O=C(O)c1ccc2OCOc2c1
InChi:	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
Synonyms:	benzo[d][1,3]dioxole-5-carboxylic acid
Definition date:	2012-01-19
Last modified:	2020-06-17
Release date:	2013-02-08
Identifier:	1,3-benzodioxole-5-carboxylic acid

0HW

0HW
Name:	N-[(3S)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline
Formula:	C17 H26 N2 O7
SMILES:	O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C2OC2C(=O)OCC
InChi:	InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12+,13+/m0/s1
Synonyms:	CA030
Definition date:	2008-11-11
Last modified:	2020-06-17
Identifier:	N-{[(2R,3R)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline

0HZ

0HZ
Name:	amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Formula:	C11 H20 N5 O2
SMILES:	O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2
InChi:	InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1
Synonyms:	CI-4
Definition date:	2008-11-05
Last modified:	2020-06-17
Identifier:	amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium

0I5

0I5
Name:	N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Formula:	C22 H32 F N3 O4
SMILES:	O=C(NC(C(=O)NC(C(=O)CF)CCc1ccccc1)CC(C)C)N2CCOCC2
InChi:	InChI=1S/C22H32FN3O4/c1-16(2)14-19(25-22(29)26-10-12-30-13-11-26)21(28)24-18(20(27)15-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Synonyms:	Morpholino-Leu-homoPhe-FMK
Definition date:	2008-09-14
Last modified:	2020-06-17
Identifier:	N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide

0IT

0IT
Name:	amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium
Formula:	C20 H31 N6 O5 S
SMILES:	O=C(NC(C=O)CCCNC(=[NH2+])N)CN2C(=O)C(NS(=O)(=O)Cc1ccccc1)CCC2
InChi:	InChI=1S/C20H30N6O5S/c21-20(22)23-10-4-8-16(13-27)24-18(28)12-26-11-5-9-17(19(26)29)25-32(30,31)14-15-6-2-1-3-7-15/h1-3,6-7,13,16-17,25H,4-5,8-12,14H2,(H,24,28)(H4,21,22,23)/p+1/t16-,17-/m0/s1
Synonyms:	CVS1578
Definition date:	2008-12-11
Last modified:	2020-06-17
Identifier:	amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium

0IU

0IU
Name:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide
Formula:	C34 H53 N5 O5 S
SMILES:	O=C(N(C)C)CN(C(=O)CC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)Cc2nc(sc2)N)C(c3ccccc3)C
InChi:	InChI=1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1
Synonyms:	P2-P3 butanediamide renin inhibitor (1)
Definition date:	2008-11-12
Last modified:	2020-06-17
Identifier:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide

0IW

0IW
Name:	Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
Formula:	C32 H40 N4 O4 S
SMILES:	O=C(N1CCN(C)CC1)NC(C(=O)NC(CCc2ccccc2)CCS(=O)(=O)c3ccccc3)Cc4ccccc4
InChi:	InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
Synonyms:	APC-3316, bound form
Definition date:	2008-09-14
Last modified:	2020-06-17
Identifier:	Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide

FVS

FVS
Name:	(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
Formula:	C32 H47 F5 O3 S
SMILES:	FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4
InChi:	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41-/m1/s1
Synonyms:	Fulvestrant
Definition date:	2013-02-25
Last modified:	2020-06-17
Release date:	2013-06-05
Identifier:	(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol

0JH

0JH
Name:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Formula:	C24 H29 N5 O3
SMILES:	O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C
InChi:	InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1
Synonyms:	(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form
Definition date:	2012-01-23
Last modified:	2020-06-17
Identifier:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate

FW1

FW1
Name:	Fusicoccin A aglycone
Formula:	C23 H36 O6
SMILES:	O=C(OCC(C2=C1C(O)C(O)C(C3C(=CC1(C)C(O)C2)C(CC3)COC)C)C)C
InChi:	InChI=1S/C23H36O6/c1-12(10-29-14(3)24)17-8-19(25)23(4)9-18-15(11-28-5)6-7-16(18)13(2)21(26)22(27)20(17)23/h9,12-13,15-16,19,21-22,25-27H,6-8,10-11H2,1-5H3/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1
Synonyms:	(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydr odicyclopenta[a,d][8]annulen-3-yl]propyl acetate
Definition date:	2011-07-06
Last modified:	2020-06-17
Identifier:	(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate

0JM

0JM
Name:	(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
Formula:	C17 H20 N2 O6 S
SMILES:	O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C
InChi:	InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1
Synonyms:	Carbenicillin
Definition date:	2012-08-13
Last modified:	2020-06-17
Release date:	2012-12-14
Identifier:	(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

FWD

FWD
Name:	2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:	C7 H8 F N3 O4
SMILES:	O=C(O)C(N)CN1C=C(F)C(=O)NC1=O
InChi:	InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:	FLUORO-WILLARDIINE
Definition date:	2002-09-20
Last modified:	2020-06-17
Identifier:	3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine

FXA

FXA
Name:	N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
Formula:	C23 H17 Cl N4 O4 S
SMILES:	Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O
InChi:	InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30)
Synonyms:	N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide
Definition date:	2008-03-06
Last modified:	2020-06-17
Identifier:	N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide

0KZ

0KZ
Name:	[(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Formula:	C12 H17 N2 O7 P
SMILES:	O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3
InChi:	InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1
Synonyms:	2'-exo-methanocarba-thymidine monophosphate
Definition date:	2012-02-07
Last modified:	2020-06-17
Identifier:	[(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate

0L1

0L1
Name:	hexanedioic acid
Formula:	C6 H10 O4
SMILES:	O=C(O)CCCCC(=O)O
InChi:	InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Synonyms:	Adipic acid
Definition date:	2012-02-08
Last modified:	2020-06-17
Identifier:	hexanedioic acid

FXM

FXM
Name:	2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate
Formula:	C23 H31 N5 O8 S2
SMILES:	CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2
InChi:	InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1
Synonyms:	FLOMOX open form
Definition date:	2005-11-16
Last modified:	2020-06-17
Identifier:	2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

FXN

FXN
Name:	5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE
Formula:	C11 H11 F N2 O S
SMILES:	Fc1cc2c(cc1)nc(c2)C(=O)NCCS
InChi:	InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)
Synonyms:	FICA
Definition date:	2004-02-27
Last modified:	2020-06-17
Identifier:	5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide

0LA

0LA
Name:	(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Formula:	C15 H12 Cl N O2
SMILES:	O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C
InChi:	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
Synonyms:	(S)-carprofen
Definition date:	2012-02-13
Last modified:	2020-06-17
Release date:	2013-01-18
Identifier:	(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid

0LI

0LI
Name:	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide
Formula:	C29 H27 F3 N6 O
SMILES:	FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C
InChi:	InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
Synonyms:	Ponatinib
Definition date:	2009-08-06
Last modified:	2020-06-17
Identifier:	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

FXY

FXY
Name:	1-METHYLHEPTYLFORMAMIDE
Formula:	C9 H19 N O
SMILES:	O=CNC(CCCCCC)C
InChi:	InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1
Synonyms:	N-1-METHYLHEPTYLFORMAMIDE
Definition date:	2004-07-25
Last modified:	2020-06-17
Identifier:	N-[(1R)-1-methylheptyl]formamide

0LY

0LY
Name:	N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Formula:	C17 H24 Br N3 O2
SMILES:	Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C
InChi:	InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
Synonyms:	NBD-557
Definition date:	2012-02-27
Last modified:	2020-06-17
Release date:	2013-02-22
Identifier:	N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide

0M6

0M6
Name:	N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
Formula:	C17 H27 N3 O3 S
SMILES:	S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C
InChi:	InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1
Synonyms:	SNJ-1715, bound form
Definition date:	2012-02-28
Last modified:	2020-06-17
Identifier:	N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide

0MO

0MO
Name:	(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
Formula:	C15 H22 N2 O3
SMILES:	O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2
InChi:	InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
Synonyms:	4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
Definition date:	2009-07-13
Last modified:	2020-06-17
Identifier:	(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one

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