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6VW

6VW
Name:	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one
Formula:	C18 H26 O2
SMILES:	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O
InChi:	InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
Synonyms:	19-nortestosterone
Definition date:	2016-07-06
Last modified:	2020-06-17
Release date:	2016-09-07
Identifier:	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one

6W7

6W7
Name:	[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
Formula:	C10 H14 N5 O5 P
SMILES:	O[P](O)(=O)CO[CH]1CNC[CH]1n2cnc3C(=O)NC=Nc23
InChi:	InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1
Synonyms:	[3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid
Definition date:	2016-07-08
Last modified:	2020-06-17
Release date:	2017-09-20
Identifier:	[(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid

6W8

6W8
Name:	[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
Formula:	C10 H15 N6 O5 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3CNC[CH]3OC[P](O)(O)=O
InChi:	InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1
Synonyms:	[3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid
Definition date:	2016-07-08
Last modified:	2020-06-17
Release date:	2017-09-20
Identifier:	[(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid

HP4

HP4
Name:	phosphinate
Formula:	H2 O2 P
SMILES:	[O-][PH2]=O
InChi:	InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1
Synonyms:	Hypophosphite
Definition date:	2016-11-14
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	phosphinate

HP8

HP8
Name:	5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
Formula:	C17 H18 N6 O9 S
SMILES:	O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1
Synonyms:	5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
Definition date:	2010-08-03
Last modified:	2020-06-17
Identifier:	5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine

HPL

HPL
Name:	HEPTYLFORMAMIDE
Formula:	C8 H17 N O
SMILES:	O=CNCCCCCCC
InChi:	InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
Synonyms:	N-HEPTYLFORMAMIDE
Definition date:	2004-07-25
Last modified:	2020-06-17
Identifier:	N-heptylformamide

HPV

HPV
Name:	2-oxo-3-(phosphonooxy)propanoic acid
Formula:	C3 H5 O7 P
SMILES:	O=P(O)(O)OCC(=O)C(=O)O
InChi:	InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
Synonyms:	Hydroxypyruvic acid phosphate
Definition date:	2008-06-09
Last modified:	2020-06-17
Identifier:	2-oxo-3-(phosphonooxy)propanoic acid

HQI

HQI
Name:	N-(8-hydroxyquinolin-5-yl)acetamide
Formula:	C11 H10 N2 O2
SMILES:	CC(=O)Nc1ccc(O)c2ncccc12
InChi:	InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14)
Synonyms:	8-hydroxyquinoline
Definition date:	2010-01-19
Last modified:	2020-06-17
Identifier:	N-(8-hydroxyquinolin-5-yl)ethanamide

HQL

HQL
Name:	4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE
Formula:	C22 H27 N5 O
SMILES:	O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
Synonyms:	HQL-79
Definition date:	2005-06-15
Last modified:	2020-06-17
Identifier:	4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine

HS6

HS6
Name:	2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
Formula:	C8 H7 F N2 O4 S
SMILES:	O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O
InChi:	InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2
Synonyms:	4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2020-06-17
Identifier:	N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide

HS7

HS7
Name:	N-oxo-2-(phenylsulfonylamino)ethanamide
Formula:	C8 H8 N2 O4 S
SMILES:	O=S(=O)(NCC(=O)N=O)c1ccccc1
InChi:	InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2
Synonyms:	N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2020-06-17
Identifier:	N-oxo-N~2~-(phenylsulfonyl)glycinamide

6ZV

6ZV
Name:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Formula:	C27 H32 F2 N8
SMILES:	C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5
InChi:	InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Synonyms:	Abemaciclib
Definition date:	2016-08-03
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine

6ZZ

6ZZ
Name:	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C23 H30 N8 O
SMILES:	c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5
InChi:	InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
Synonyms:	Ribociclib
Definition date:	2016-08-03
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

HSS

HSS
Name:	5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE
Formula:	C16 H21 N9 O7 S
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4
InChi:	InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1
Synonyms:	5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE
Definition date:	2007-05-25
Last modified:	2020-06-17
Identifier:	5'-O-(L-histidylsulfamoyl)adenosine

HT
Name:	2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C25 H24 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6
InChi:	InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)
Synonyms:	HOECHST 33258
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol

HT2

HT2
Name:	5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Formula:	C22 H18 N8
SMILES:	[N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5
InChi:	InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)
Synonyms:	BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide

HTF

HTF
Name:	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Formula:	C12 H21 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCCCC
InChi:	InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
Synonyms:	N-OCTANOYL-L-HOMOSERINE LACTONE
Definition date:	2005-09-14
Last modified:	2020-06-17
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide

HTL

HTL
Name:	2-ACETYL-THIAMINE DIPHOSPHATE
Formula:	C14 H21 N4 O8 P2 S
SMILES:	O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C
InChi:	InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
Synonyms:	2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO LIUM INNER SALT P,P'-DIOXIDE
Definition date:	2001-11-26
Last modified:	2020-06-17
Identifier:	2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

715

715
Name:	(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE
Formula:	C16 H15 F6 N5 O
SMILES:	Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
InChi:	InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
Synonyms:	Sitagliptin
Definition date:	2004-08-16
Last modified:	2020-06-17
Identifier:	(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine

71C

71C
Name:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Formula:	C33 H27 N O8
SMILES:	c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45
InChi:	InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
Synonyms:	antagonist A-317491
Definition date:	2016-08-10
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid

71E

71E
Name:	DZ 2384
Formula:	C34 H36 F N5 O7
SMILES:	CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2
InChi:	InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1
Synonyms:	optimized synthetic derivative of diazonamide AB-5
Definition date:	2016-08-11
Last modified:	2020-06-17
Release date:	2016-11-30

71I

71I
Name:	(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
Formula:	C11 H20 N2 O4 S
SMILES:	CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
InChi:	InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	Butylaminothiazoline
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	(3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

HUL

HUL
Name:	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
Formula:	C16 H12 O6
SMILES:	O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2
InChi:	InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Synonyms:	Hispidulin
Definition date:	2015-01-08
Last modified:	2020-06-17
Release date:	2015-08-26
Identifier:	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one

71Y

71Y
Name:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:	InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1
Synonyms:	I-p300
Definition date:	2016-08-14
Last modified:	2020-06-17
Release date:	2017-08-16
Identifier:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

72E

72E
Name:	4-(2-methylphenyl)-benzenesulfonamide
Formula:	C13 H13 N O2 S
SMILES:	Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
Synonyms:	2'-methyl[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	2'-methyl[1,1'-biphenyl]-4-sulfonamide

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