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OVE
OVE
Name:2'-O-(sulfidophosphinato)adenosine
Formula:C10 H14 N5 O6 P S
SMILES:[O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO
InChi:InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1
Synonyms:ADENOSINE-2'-MONOPHOSPHOROTHIOATE
Definition date:2012-10-29
Last modified:2021-03-01
Release date:2013-07-10
Identifier:2'-O-(sulfidophosphinato)adenosine
675
675
Name:6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE
Formula:C18 H15 N3 O
SMILES:O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3
InChi:InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
Synonyms:6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE
Definition date:2003-04-09
Last modified:2021-03-01
Identifier:6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide
679
679
Name:2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID
Formula:C17 H10 Cl2 N2 O4
SMILES:O=C2C(Nc1ccc(Cl)c(C(=O)O)c1)=C(C(=O)N2)c3cccc(Cl)c3
InChi:InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
Synonyms:I-5
Definition date:2003-08-06
Last modified:2021-03-01
Identifier:2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid
681
681
Name:2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE
Formula:C23 H30 N6 O4
SMILES:O=C2C(N)=CN=C(c1ccccc1)N2CC(=O)NC(C(O)c3nnc(o3)C(C)(C)C)C(C)C
InChi:InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m0/s1
Synonyms:ONO-6818
Definition date:2000-10-16
Last modified:2021-03-01
Identifier:2-(5-amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)-N-{(1S)-1-[(S)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-2-methylpropyl}acetamide
687
687
Name:N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE
Formula:C31 H34 N3 O8 P
SMILES:O=Cc1cc(ccc1OP(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
Synonyms:RU84687
Definition date:2003-06-20
Last modified:2021-03-01
Identifier:Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-O-phosphono-L-tyrosinamide
688
688
Name:2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
Formula:C22 H17 N5 O5
SMILES:O=C(O)c2cc(nc(Oc1cc(C(=[N@H])N)ccc1O)c2)Oc3cccc(c3)c4nccn4
InChi:InChI=1S/C22H17N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-11,28H,(H3,23,24)(H,25,26)(H,29,30)
Synonyms:ZK-806688
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid
696
696
Name:3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE
Formula:C21 H17 N3 O
SMILES:[O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
Synonyms:CRA_8696
Definition date:2003-03-14
Last modified:2021-03-01
Identifier:3-{5-[amino(iminio)methyl]-1H-indol-2-yl}biphenyl-2-olate
69O
69O
Name:2-oxopentanoic acid
Formula:C5 H8 O3
SMILES:CCCC(C(O)=O)=O
InChi:InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
Synonyms:2-Ketopentanoic acid
Definition date:2016-02-22
Last modified:2021-03-01
Release date:2016-03-09
Identifier:2-oxopentanoic acid
6AC
6AC
Name:prop-2-enenitrile
Formula:C3 H3 N
SMILES:N#CC=C
InChi:InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
Synonyms:Acrylonitrile
Definition date:2013-07-16
Last modified:2021-03-01
Release date:2013-07-24
Identifier:prop-2-enenitrile
6AD
6AD
Name:2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
Formula:C11 H17 N5 O10 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O
InChi:InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Synonyms:2-methylthio-adenosine-5'-diphosphate
Definition date:2014-03-31
Last modified:2021-03-01
Release date:2014-04-30
Identifier:2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
6AT
6AT
Name:2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
Formula:C11 H18 N5 O13 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O
InChi:InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Synonyms:2-methylthio-adenosine-5'-triphosphate
Definition date:2014-04-01
Last modified:2021-03-01
Release date:2014-04-30
Identifier:2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
6CG
6CG
Name:5'-S-phosphono-5'-thioguanosine
Formula:C10 H14 N5 O7 P S
SMILES:C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N
InChi:InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Synonyms:TrpGMPS hydrolysis product
Definition date:2016-03-10
Last modified:2021-03-01
Release date:2017-03-15
Identifier:5'-S-phosphono-5'-thioguanosine
P12
P12
Name:4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM
Formula:C16 H29 N5 O2
SMILES:[N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2
InChi:InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2
Synonyms:RBT205 INHIBITOR
Definition date:2003-12-19
Last modified:2021-03-01
Identifier:1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium
P16
P16
Name:6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:C21 H16 Cl2 N4 O2
SMILES:Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C
InChi:InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
Synonyms:PD166326
Definition date:2003-03-18
Last modified:2021-03-01
Identifier:6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
P17
P17
Name:6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
Formula:C21 H16 Cl2 N4 O S
SMILES:Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C
InChi:InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
Synonyms:PD173955
Definition date:2002-07-31
Last modified:2021-03-01
Identifier:6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
P1S
P1S
Name:(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL
Formula:C17 H14 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO
InChi:InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1
Synonyms:PISATIN
Definition date:2005-04-28
Last modified:2021-03-01
Identifier:(6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol
P24
P24
Name:1-(AMINOETHYL)AMINO-4-AMINOBUTANE
Formula:C6 H17 N3
SMILES:NCCCCNCCN
InChi:InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2
Synonyms:PA(24)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:N-(2-aminoethyl)butane-1,4-diamine
P2E
P2E
Name:(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Formula:C20 H32 O5
SMILES:O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:Prostaglandin E2
Definition date:2009-06-04
Last modified:2021-03-01
Release date:2014-07-23
Identifier:(5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
LDE
LDE
Name:(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:C11 H22 N O6 P
SMILES:O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
InChi:InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
Definition date:2011-05-18
Last modified:2021-03-01
Identifier:(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
LDT
LDT
Name:IDD594
Formula:C16 H12 Br F2 N O3 S
SMILES:Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O
InChi:InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
Synonyms:[2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID
Definition date:2003-11-16
Last modified:2021-03-01
Identifier:{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid
6EU
6EU
Name:resiniferatoxin
Formula:C37 H40 O9
SMILES:COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O
InChi:InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
Synonyms:RTX
Definition date:2016-03-23
Last modified:2021-03-01
Release date:2016-05-25
Identifier:[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate
6F0
6F0
Name:2-azanyl-6-fluoranyl-benzoic acid
Formula:C7 H6 F N O2
SMILES:O=C(O)c1c(F)cccc1N
InChi:InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
Synonyms:6-fluoroanthranilate
Definition date:2014-02-06
Last modified:2021-03-01
Release date:2014-04-23
Identifier:2-amino-6-fluorobenzoic acid
6FE
6FE
Name:4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline
Formula:C24 H28 N2 O
SMILES:COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C
InChi:InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1
Synonyms:MALACHITE GREEN DERIVATIVE MG-2P
Definition date:2015-07-27
Last modified:2021-03-01
Release date:2016-02-03
Identifier:4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline
6FP
6FP
Name:2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde
Formula:C7 H5 N5 O2
SMILES:O=Cc2nc1c(N=C(N)NC1=O)nc2
InChi:InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
Synonyms:6-formylpterin
Definition date:2012-09-04
Last modified:2021-03-01
Release date:2012-10-12
Identifier:2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde
785
785
Name:2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
Formula:C15 H11 F3 N4 O2
SMILES:FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3
InChi:InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)
Synonyms:CRA_9785
Definition date:2003-03-14
Last modified:2021-03-01
Identifier:2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate

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