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HBN

HBN
Name:	N-(2-NAPHTHYL)HISTIDINAMIDE
Formula:	C16 H16 N4 O
SMILES:	O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
InChi:	InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1
Synonyms:	L-HISTIDINE BETA NAPHTHYLAMIDE
Definition date:	2004-04-05
Last modified:	2021-03-01
Identifier:	N-naphthalen-2-yl-D-histidinamide

HBV

HBV
Name:	3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
Formula:	C20 H27 F N2 O2
SMILES:	C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)cc(C(=O)NO)cc4
InChi:	InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20-
Synonyms:	Bavarostat
Definition date:	2018-06-25
Last modified:	2021-03-01
Release date:	2018-08-29
Identifier:	3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide

HBY

HBY
Name:	(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE
Formula:	C15 H20 N2 O3 S2
SMILES:	S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC
InChi:	InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1
Synonyms:	HBY 097
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate

HCD

HCD
Name:	(3alpha,8alpha)-cholest-5-ene-3,20-diol
Formula:	C27 H46 O2
SMILES:	OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C
InChi:	InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
Synonyms:	20S-hydroxycholesterol
Definition date:	2010-06-02
Last modified:	2021-03-01
Identifier:	(3alpha,8alpha)-cholest-5-ene-3,20-diol

HCE

HCE
Name:	{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
Formula:	C16 H24 N6 O3 S
SMILES:	O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:	InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1
Synonyms:	homocysteine-DADMe-Immucillin-A
Definition date:	2012-05-11
Last modified:	2021-03-01
Release date:	2013-05-01
Identifier:	{(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine

20D

20D
Name:	2-(4-fluorophenyl)-4H-chromen-4-one
Formula:	C15 H9 F O2
SMILES:	Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
Synonyms:	4'-fluoroflavone
Definition date:	2012-10-19
Last modified:	2021-03-01
Release date:	2012-10-26
Identifier:	2-(4-fluorophenyl)-4H-chromen-4-one

21N

21N
Name:	N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Formula:	C15 H18 F3 N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C15H18F3N3O5S/c16-15(17,18)8-3-1-7(2-4-8)5-19-21-14(27)20-13-12(25)11(24)10(23)9(6-22)26-13/h1-5,9-13,22-25H,6H2,(H2,20,21,27)/b19-5+/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Definition date:	2010-05-03
Last modified:	2021-03-01
Identifier:	N-({(2E)-2-[4-(trifluoromethyl)benzylidene]hydrazinyl}carbothioyl)-beta-D-glucopyranosylamine

223

223
Name:	(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL
Formula:	C12 H17 N5 O2
SMILES:	OCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:	InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1
Synonyms:	4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A
Definition date:	2006-10-24
Last modified:	2021-03-01
Identifier:	(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol

22F

22F
Name:	(4-fluorophenyl)(pyridin-4-yl)methanone
Formula:	C12 H8 F N O
SMILES:	O=C(c1ccc(F)cc1)c2ccncc2
InChi:	InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
Synonyms:	4-(4-fluorobenzoyl)pyridine
Definition date:	2009-01-20
Last modified:	2021-03-01
Identifier:	(4-fluorophenyl)(pyridin-4-yl)methanone

22N

22N
Name:	(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Formula:	C14 H24 N2 O4
SMILES:	O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1
InChi:	InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m0/s1
Synonyms:	stereomutated oseltamivir carboxylate
Definition date:	2013-08-23
Last modified:	2021-03-01
Release date:	2014-02-12
Identifier:	(3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

23W

23W
Name:	methyl 2-(hydroxymethyl)prop-2-enoate
Formula:	C5 H8 O3
SMILES:	O=C(OC)/C(=C)CO
InChi:	InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
Synonyms:	methyl 2-(hydroxymethyl)acrylate
Definition date:	2013-08-26
Last modified:	2021-03-01
Release date:	2014-06-25
Identifier:	methyl 2-(hydroxymethyl)prop-2-enoate

256

256
Name:	PHENYL(SULFO)ACETIC ACID
Formula:	C8 H8 O5 S
SMILES:	O=S(=O)(O)C(C(=O)O)c1ccccc1
InChi:	InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1
Synonyms:	RU79256
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	(2R)-phenyl(sulfo)ethanoic acid

25L

25L
Name:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula:	C30 H40 N15 O25 P5
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O
InChi:	InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
Synonyms:	2'-5'-oligoadenylate trimer
Definition date:	2009-09-15
Last modified:	2021-03-01
Release date:	2014-02-05
Identifier:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

HDC

HDC
Name:	3R-HYDROXYDECANOYL-COENZYME A
Formula:	C31 H54 N7 O18 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC
InChi:	InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
Synonyms:	3R-HYDROXYDECANOYL-COA
Definition date:	2003-06-17
Last modified:	2021-03-01
Identifier:	S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)

HDG

HDG
Name:	(2R,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-methoxyphenyl)ethyl]hexanamide (non-preferred name)
Formula:	C32 H42 N8 O5
SMILES:	C(CNCc1ccccc1)(CC2C(O)C(C(O2)n3cnc4c3ncnc4N)O)CCC(C(=O)NCCc5ccc(OC)cc5)N
InChi:	InChI=1S/C32H42N8O5/c1-44-23-10-7-20(8-11-23)13-14-36-31(43)24(33)12-9-22(17-35-16-21-5-3-2-4-6-21)15-25-27(41)28(42)32(45-25)40-19-39-26-29(34)37-18-38-30(26)40/h2-8,10-11,18-19,22,24-25,27-28,32,35,41-42H,9,12-17,33H2,1H3,(H,36,43)(H2,34,37,38)/t22-,24+,25+,27+,28+,32+/m0/s1
Synonyms:	(R)-SKI-72
Definition date:	2018-06-26
Last modified:	2021-03-01
Release date:	2018-07-25
Identifier:	(2R,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-methoxyphenyl)ethyl]hexanamide (non-preferred name)

HDH

HDH
Name:	4-oxidanylbenzohydrazide
Formula:	C7 H8 N2 O2
SMILES:	NNC(=O)c1ccc(O)cc1
InChi:	InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
Synonyms:	4-hydroxybenzoic acid hydrazide
Definition date:	2016-11-18
Last modified:	2021-03-01
Release date:	2017-02-01
Identifier:	4-oxidanylbenzohydrazide

HDL

HDL
Name:	D-arabinohydroxamic acid
Formula:	C5 H9 N O7
SMILES:	O=C(NO)C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1
Synonyms:	D-arabinohydroxamate
Definition date:	2009-05-26
Last modified:	2021-03-01
Identifier:	1-(hydroxyamino)-D-lyxuronic acid

HEJ

HEJ
Name:	9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
Formula:	C10 H16 N5 O13 P3
SMILES:	Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O
InChi:	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Synonyms:	Vidarabine-TRIPHOSPHATE
Definition date:	2018-06-27
Last modified:	2021-03-01
Release date:	2018-10-24
Identifier:	9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine

HF4

HF4
Name:	4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
Formula:	C9 H16 N3 O14 P3
SMILES:	C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O
InChi:	InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
Synonyms:	Cytarabine-TRIPHOSPHATE
Definition date:	2018-06-27
Last modified:	2021-03-01
Release date:	2018-10-10
Identifier:	4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one

HF7

HF7
Name:	2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)
Formula:	C11 H18 N5 O12 P3
SMILES:	c3(nc(c2c(n(C1CC(C(COP(=O)(O)OP(OP(O)(O)=O)(=O)O)O1)O)cn2)n3)N)C
InChi:	InChI=1S/C11H18N5O12P3/c1-5-14-10(12)9-11(15-5)16(4-13-9)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4,6-8,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Synonyms:	Cladribine-TRIPHOSPHATE
Definition date:	2018-06-27
Last modified:	2021-03-01
Release date:	2018-10-10
Identifier:	2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)

HFG

HFG
Name:	7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
Formula:	C16 H17 Br Cl N3 O3
SMILES:	Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3
InChi:	InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
Synonyms:	Halofuginone
Definition date:	2012-11-09
Last modified:	2021-03-01
Release date:	2012-12-28
Identifier:	7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one

HID

HID
Name:	(5-hydroxy-1H-indol-3-yl)acetic acid
Formula:	C10 H9 N O3
SMILES:	OC(=O)Cc1c[nH]c2ccc(O)cc12
InChi:	InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
Synonyms:	5-hydroxy-indole acetate
Definition date:	2010-02-08
Last modified:	2021-03-01
Identifier:	2-(5-hydroxy-1H-indol-3-yl)ethanoic acid

HJ1

HJ1
Name:	N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Formula:	C11 H16 N2 O3
SMILES:	C(N)CC(NCCc1cc(c(cc1)O)O)=O
InChi:	InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16)
Synonyms:	beta-alanyl-dopamine
Definition date:	2018-07-03
Last modified:	2021-03-01
Release date:	2019-01-30
Identifier:	N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide

HL0

HL0
Name:	N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Formula:	C14 H25 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCCCCCC
InChi:	InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
Synonyms:	N-decanoyl-L-homoserine lactone
Definition date:	2011-02-15
Last modified:	2021-03-01
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide

HLW

HLW
Name:	3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
Formula:	C18 H20 Cl N5
SMILES:	Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3
InChi:	InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
Synonyms:	N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE
Definition date:	2014-10-21
Last modified:	2021-03-01
Release date:	2014-12-24
Identifier:	3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

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