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0OV
0OV
Name:[4-amino-2-{[(1S,2R)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrile
Formula:C16 H19 N5 O2
SMILES:O=C3c1c(nc(nc1N)OC2CCCCC2C)N(C=C3)CC#N
InChi:InChI=1S/C16H19N5O2/c1-10-4-2-3-5-12(10)23-16-19-14(18)13-11(22)6-8-21(9-7-17)15(13)20-16/h6,8,10,12H,2-5,9H2,1H3,(H2,18,19,20)/t10-,12+/m1/s1
Definition date:2012-04-04
Last modified:2013-03-29
Release date:2013-04-03
Identifier:[4-amino-2-{[(1S,2R)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrile
0OW
0OW
Name:4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
Formula:C15 H22 N4 O4
SMILES:O=C(c3c(OC1CCCC1O)nc(OC2CCCC2)nc3N)N
InChi:InChI=1S/C15H22N4O4/c16-12-11(13(17)21)14(23-10-7-3-6-9(10)20)19-15(18-12)22-8-4-1-2-5-8/h8-10,20H,1-7H2,(H2,17,21)(H2,16,18,19)/t9-,10+/m0/s1
Definition date:2012-04-04
Last modified:2013-03-29
Release date:2013-04-03
Identifier:4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
0OX
0OX
Name:4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
Formula:C10 H14 N4 O2
SMILES:O=C(c2cnc(OC1CCCC1)nc2N)N
InChi:InChI=1S/C10H14N4O2/c11-8-7(9(12)15)5-13-10(14-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,15)(H2,11,13,14)
Definition date:2012-04-04
Last modified:2013-03-29
Release date:2013-04-03
Identifier:4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
0TA
0TA
Name:2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C16 H18 N6 O
SMILES:O=C2N(c1nc(nc(c1C=C2c3cnnc3)C)N)C4CCCC4
InChi:InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
Definition date:2012-06-04
Last modified:2013-03-29
Release date:2013-04-03
Identifier:2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
0TB
0TB
Name:2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C18 H19 F N6 O2
SMILES:Fc4cc(C1=Cc3c(nc(nc3N(C1=O)N2CCCC2)N)C)cnc4OC
InChi:InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
Definition date:2012-06-04
Last modified:2013-03-29
Release date:2013-04-03
Identifier:2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
M76
M76
Name:N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Formula:C17 H13 F N2 O4
SMILES:Fc1ccc(cc1)CNC(=O)C2=C(O)N(O)C(=O)c3ccccc23
InChi:InChI=1S/C17H13FN2O4/c18-11-7-5-10(6-8-11)9-19-15(21)14-12-3-1-2-4-13(12)16(22)20(24)17(14)23/h1-8,23-24H,9H2,(H,19,21)
Definition date:2013-01-16
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
0XB
0XB
Name:N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Formula:C12 H7 F N4 O3
SMILES:Fc1cccc(c1)Nc2ccc3nonc3c2[N+]([O-])=O
InChi:InChI=1S/C12H7FN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H
Definition date:2012-09-05
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Q21
Q21
Name:(2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide
Formula:C25 H19 N3 O3
SMILES:O=C(Nc1cc2nc(oc2cc1)c3ccncc3)C(Oc5c4ccccc4ccc5)C
InChi:InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1
Definition date:2013-01-28
Last modified:2013-03-29
Release date:2013-04-03
Identifier:(2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide
BNU
BNU
Name:6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Formula:C16 H18 Br N3 O3
SMILES:O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)CC
InChi:InChI=1S/C16H18BrN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
Definition date:2012-09-05
Last modified:2013-03-29
Release date:2013-04-03
Identifier:6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
8TO
8TO
Name:(4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
Formula:C33 H50 N4 O8
SMILES:O=C1C(NCCN(C)C)=C2C(=O)C(=C1C)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C
InChi:InChI=1S/C33H54N4O8/c1-18-15-23-27(35-13-14-37(6)7)29(39)22(5)26(30(23)40)36-32(41)19(2)11-10-12-24(43-8)31(45-33(34)42)21(4)17-20(3)28(38)25(16-18)44-9/h10-11,18,20,22-28,31,35,38H,2,4,12-17H2,1,3,5-9H3,(H2,34,42)(H,36,41)/b11-10+/t18-,20-,22?,23+,24+,25+,26+,27-,28-,31-/m1/s1
Definition date:2012-05-01
Last modified:2013-03-29
Release date:2013-04-03
Identifier:(4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
AG9
AG9
Name:AGMATIDINE
Formula:C14 H30 N7 O7 P
SMILES:[O-]P([O-])(=O)OCC2OC([n+]1c(nc(N)cc1)NCCCCNC(=[NH2+])N)C(O)C2O
InChi:InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/t8-,10-,11-,12-/m1/s1
Definition date:2013-02-14
Last modified:2013-03-29
Release date:2013-04-03
Identifier:4-amino-2-[(4-{[amino(iminio)methyl]amino}butyl)amino]-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyrimidin-1-ium
DVN
DVN
Name:[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:C15 H24 N5 O17 P3
SMILES:O=P(O)(O)OC3C(O)C(OC3n1c2ncnc(N)c2nc1)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O
InChi:InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Definition date:2012-06-12
Last modified:2013-03-29
Release date:2013-04-03
Identifier:[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
1JJ
1JJ
Name:[(1S)-1-hydroxypropyl]phosphonic acid
Formula:C3 H9 O4 P
SMILES:O=P(O)(O)C(O)CC
InChi:InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
Definition date:2013-02-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:[(1S)-1-hydroxypropyl]phosphonic acid
1JS
1JS
Name:N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide
Formula:C23 H25 N3 O5
SMILES:O=C(NC(C(=O)NO)CCC(=O)NCCCO)c2ccc(C#Cc1ccccc1)cc2
InChi:InChI=1S/C23H25N3O5/c27-16-4-15-24-21(28)14-13-20(23(30)26-31)25-22(29)19-11-9-18(10-12-19)8-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,20,27,31H,4,13-16H2,(H,24,28)(H,25,29)(H,26,30)/t20-/m0/s1
Definition date:2013-02-20
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide
1A3
1A3
Name:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
Formula:C16 H14 N2 O3 S2
SMILES:O=C3SC=C(c2cc(NS(=O)(=O)Cc1ccccc1)ccc2)N3
InChi:InChI=1S/C16H14N2O3S2/c19-16-17-15(10-22-16)13-7-4-8-14(9-13)18-23(20,21)11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,17,19)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
1A4
1A4
Name:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
Formula:C13 H10 N2 O3 S3
SMILES:O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)ccc2)N3
InChi:InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
1A5
1A5
Name:4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
Formula:C10 H10 N2 O3
SMILES:O=C(c2ccc(N1C(=O)OCC1)cc2)N
InChi:InChI=1S/C10H10N2O3/c11-9(13)7-1-3-8(4-2-7)12-5-6-15-10(12)14/h1-4H,5-6H2,(H2,11,13)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
1A6
1A6
Name:3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
Formula:C11 H10 N4 O S
SMILES:S(c1nnc2ccccn12)Cc3onc(c3)C
InChi:InChI=1S/C11H10N4OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11/h2-6H,7H2,1H3
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
1A7
1A7
Name:4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one
Formula:C9 H6 F N O S
SMILES:O=C2SC=C(c1c(F)cccc1)N2
InChi:InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one
1A8
1A8
Name:N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
Formula:C17 H17 N3 O4 S3
SMILES:O=C3SC=C(c2cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC)c2)N3
InChi:InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
1A9
1A9
Name:3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
Formula:C22 H25 N3 O4 S3
SMILES:O=C4SC=C(c3cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC2CCCCC2)c3)N4
InChi:InChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27)
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
1AJ
1AJ
Name:6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone
Formula:C11 H11 N3 O S
SMILES:O=C(N2CCc1sccc1C2)n3ccnc3
InChi:InChI=1S/C11H11N3OS/c15-11(14-5-3-12-8-14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2
Definition date:2012-11-15
Last modified:2013-03-29
Release date:2013-04-03
Identifier:6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone
KH3
KH3
Name:5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
Formula:C22 H38 N8 O5
SMILES:O=C(O)C(N)CCN(CCNCCCCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C22H38N8O5/c1-2-3-4-5-7-25-8-10-29(9-6-14(23)22(33)34)11-15-17(31)18(32)21(35-15)30-13-28-16-19(24)26-12-27-20(16)30/h12-15,17-18,21,25,31-32H,2-11,23H2,1H3,(H,33,34)(H2,24,26,27)/t14-,15+,17+,18+,21+/m0/s1
Definition date:2012-08-01
Last modified:2013-03-22
Release date:2013-03-27
Identifier:5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
UBD
UBD
Name:URIDINE 3',5'-BIS(DIHYDROGEN PHOSPHATE)
Formula:C9 H14 N2 O12 P2
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:2007-06-07
Last modified:2013-03-22
Release date:2013-03-27
Identifier:uridine 3',5'-bis(dihydrogen phosphate)
0NP
0NP
Name:2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
Formula:C9 H11 F N5 O4
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(N=[N+]=[N@H])C2F)CO
InChi:InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,11,16H,3H2/p+1/t4-,6-,7-,8-/m1/s1
Definition date:2012-03-23
Last modified:2013-03-22
Release date:2013-03-27
Identifier:2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine

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