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HFT

HFT
Name:	HYDROXYFLUTAMIDE
Formula:	C11 H11 F3 N2 O4
SMILES:	FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C
InChi:	InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
Synonyms:	2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE
Definition date:	2005-09-06
Last modified:	2020-06-17
Identifier:	2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

C1Q

C1Q
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide
Formula:	C40 H71 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2
InChi:	InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide

HG1

HG1
Name:	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
Formula:	C18 H35 N O7
SMILES:	O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1
InChi:	InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1
Synonyms:	C-HEGA-10
Definition date:	2013-10-16
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol

HGD

HGD
Name:	mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
Formula:	C20 H32 Hg N6 O12 S2
SMILES:	O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:	InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16
Synonyms:	S-Mercury glutathione
Definition date:	2013-10-31
Last modified:	2020-06-17
Release date:	2014-03-19
Identifier:	mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)

HH3

HH3
Name:	(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
Formula:	C9 H9 N O4
SMILES:	O=C(NC(O)C(=O)O)c1ccccc1
InChi:	InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1
Synonyms:	alpha-hydroxyhippuric acid
Definition date:	2009-01-26
Last modified:	2020-06-17
Identifier:	(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid

C2Z

C2Z
Name:	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
Formula:	C7 H6 N O6 P
SMILES:	OP(c1ccc(o1)c2cc(O)on2)(O)=O
InChi:	InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)
Synonyms:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
Definition date:	2015-04-27
Last modified:	2020-06-17
Release date:	2016-03-09
Identifier:	[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

HHG

HHG
Name:	(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE
Formula:	C9 H19 O7 P
SMILES:	O=P(O)(O)OCC(O)COC(=O)CCCCC
InChi:	InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
Synonyms:	1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
Definition date:	2005-01-05
Last modified:	2020-06-17
Identifier:	(2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate

C3D

C3D
Name:	(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
Formula:	C28 H31 N O2
SMILES:	O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5
InChi:	InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
Synonyms:	Lasofoxifene
Definition date:	2007-02-21
Last modified:	2020-06-17
Identifier:	(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

HI6

HI6
Name:	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
Formula:	C14 H16 N4 O3
SMILES:	O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO
InChi:	InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
Synonyms:	1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER
Definition date:	2006-05-15
Last modified:	2020-06-17
Identifier:	4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium

HIW

HIW
Name:	(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid
Formula:	C12 H19 N3 O5 S
SMILES:	O=C(O)C1=NC(CC1SCCN[C@H]=N)C(C(O)=O)C(O)C
InChi:	InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8+,9-/m1/s1
Synonyms:	Hydrolyzed Imipenem
Definition date:	2015-12-24
Last modified:	2020-06-17
Release date:	2016-05-11
Identifier:	(2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid

C4P

C4P
Name:	N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
Formula:	C24 H29 N3 O4 S
SMILES:	O=C(NC(C(=O)NC(C=O)CSCc1ccccc1)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1
Synonyms:	MORPHOLINE-4-CARBOXYLIC ACID [1-(2-BENZYLSULFANYL-1-FORMYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYL]-AMIDE
Definition date:	2003-02-11
Last modified:	2020-06-17
Identifier:	N-[(1R)-2-(benzylsulfanyl)-1-formylethyl]-Nalpha-(morpholin-4-ylcarbonyl)-L-phenylalaninamide

HJ7

HJ7
Name:	(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
Formula:	C7 H6 O7
SMILES:	C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O
InChi:	InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-
Synonyms:	(3Z)-2-keto-4-carboxy-3-hexenedioate
Definition date:	2018-07-03
Last modified:	2020-06-17
Release date:	2018-09-26
Identifier:	(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid

HJX

HJX
Name:	2-hydroxy-6-(tetradecyloxy)benzoic acid
Formula:	C21 H34 O4
SMILES:	O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC
InChi:	InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)
Synonyms:	BPH-981
Definition date:	2011-06-17
Last modified:	2020-06-17
Release date:	2019-02-27
Identifier:	2-hydroxy-6-(tetradecyloxy)benzoic acid

HKG

HKG
Name:	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
Formula:	C25 H25 N7 O2 S2
SMILES:	c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O
InChi:	InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31)
Synonyms:	AR453588
Definition date:	2018-07-09
Last modified:	2020-06-17
Release date:	2019-07-10
Identifier:	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one

HKT

HKT
Name:	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine
Formula:	C17 H16 F N3 O2 S
SMILES:	CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3
InChi:	InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
Synonyms:	Vonoprazan
Definition date:	2017-10-20
Last modified:	2020-06-17
Release date:	2018-04-11
Identifier:	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine

C6H

C6H
Name:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
Formula:	C24 H33 Cl N2 O2
SMILES:	COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4
InChi:	InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3
Synonyms:	MR28926
Definition date:	2017-11-15
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one

HL6

HL6
Name:	N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Formula:	C10 H17 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCC
InChi:	InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
Synonyms:	N-hexanoyl-L-homoserine lactone
Definition date:	2011-02-15
Last modified:	2020-06-17
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide

C6Q

C6Q
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
Formula:	C36 H63 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2
InChi:	InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-06
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide

C76

C76
Name:	2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Formula:	C8 H12 F3 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	N-trifluoroacetyl-D-glucosamine
Definition date:	2019-04-12
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

C7M

C7M
Name:	(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM
Formula:	C25 H30 Cl N6 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4
InChi:	InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	(2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium

C8F

C8F
Name:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
Formula:	C38 H66 F N O9
SMILES:	Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide

TYP

TYP
Name:	CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR
Formula:	C14 H16 N2 O3
SMILES:	O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3
InChi:	InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1
Synonyms:	(3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Definition date:	2004-06-24
Last modified:	2020-06-17
Identifier:	(3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C8M

C8M
Name:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
Formula:	C15 H23 N7 O4
SMILES:	O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1
Synonyms:	5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name)

C8P

C8P
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
Formula:	C38 H67 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2
InChi:	InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide

C8X

C8X
Name:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Formula:	C12 H14 O6
SMILES:	OCCOC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
Synonyms:	bis(2-hydroxyethyl) terephthalate
Definition date:	2019-04-16
Last modified:	2020-06-17
Release date:	2020-04-15
Identifier:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

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