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5B3
5B3
Name:4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
Formula:C17 H20 N4 O2 S
SMILES:O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3
InChi:InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
Definition date:2008-08-19
Last modified:2011-06-04
Identifier:4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
O28
O28
Name:2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C19 H21 F3 N4 O2 S
SMILES:FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)N)CCCC4
InChi:InChI=1S/C19H21F3N4O2S/c20-19(21,22)16-10-5-1-3-7-12(10)26(25-16)9-14(27)24-18-15(17(23)28)11-6-2-4-8-13(11)29-18/h1-9H2,(H2,23,28)(H,24,27)
Definition date:2010-07-23
Last modified:2011-06-04
Identifier:2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
O2C
O2C
Name:3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H14 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2OC(CC2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:2005-10-31
Last modified:2011-06-04
Identifier:3'-deoxy-5'-cytidylic acid
5BD
5BD
Name:N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
Formula:C22 H24 N4 O4
SMILES:O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C
InChi:InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
Definition date:2009-03-24
Last modified:2011-06-04
Identifier:N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
5BE
5BE
Name:3-methyl-5-[5-(1-methylethyl)-1H-benzimidazol-2-yl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
Formula:C21 H28 N6 O
SMILES:O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4
InChi:InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26)
Definition date:2010-06-23
Last modified:2011-06-04
Identifier:3-methyl-N-(1-methylpiperidin-4-yl)-5-[5-(propan-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide
O2G
O2G
Name:2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINE
Formula:C12 H18 N5 O7 P
SMILES:O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O7P/c1-16(2)12-14-10-9(11(19)15-12)13-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,3-4H2,1-2H3,(H,14,15,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
Definition date:2009-01-22
Last modified:2011-06-04
Identifier:2'-deoxy-N,N-dimethylguanosine 5'-(dihydrogen phosphate)
5BM
5BM
Name:(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
Formula:C18 H16 N6 S2
SMILES:N#CC(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N
InChi:InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+
Definition date:2008-10-13
Last modified:2011-06-04
Identifier:(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
5BN
5BN
Name:5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE
Formula:C17 H15 F N4 O
SMILES:Fc1ccc2c3c1c(cc(c3C(=O)N2)c4cccn4)NCCN
InChi:InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
Definition date:2003-04-21
Last modified:2011-06-04
Identifier:5-[(2-aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-yl)benzo[cd]indol-2(1H)-one
5BP
5BP
Name:N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Formula:C13 H12 N6
SMILES:n1cc(c2cccnn12)c3nc(ncc3)NC4CC4
InChi:InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18)
Definition date:2008-09-22
Last modified:2011-06-04
Identifier:N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
5BU
5BU
Name:5-BROMO-URIDINE-5'-MONOPHOSPHATE
Formula:C9 H12 Br N2 O9 P
SMILES:BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:2003-11-05
Last modified:2011-06-04
Identifier:5-bromouridine 5'-(dihydrogen phosphate)
O30
O30
Name:N-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C22 H28 F3 N5 O2 S
SMILES:FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)NCCCN)CCCC4
InChi:InChI=1S/C22H28F3N5O2S/c23-22(24,25)19-13-6-1-3-8-15(13)30(29-19)12-17(31)28-21-18(20(32)27-11-5-10-26)14-7-2-4-9-16(14)33-21/h1-12,26H2,(H,27,32)(H,28,31)
Definition date:2010-07-23
Last modified:2011-06-04
Identifier:N-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
5CA
5CA
Name:5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE
Formula:C13 H19 N7 O7 S2
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS
InChi:InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:2003-01-07
Last modified:2011-06-04
Identifier:5'-O-(L-cysteinylsulfamoyl)adenosine
5CB
5CB
Name:N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
Formula:C22 H23 Cl2 N5 O2 S
SMILES:ClC1N(C(O)C(=NC1)NCCc2ncccc2)CC(=O)NCc3c4cc(Cl)ccc4sc3
InChi:InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1
Definition date:2005-07-04
Last modified:2011-06-04
Identifier:N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-[(2-pyridin-2-ylethyl)amino]-3,6-dihydropyrazin-1(2H)-yl]acetamide
5CD
5CD
Name:5'-CHLORO-5'-DEOXYADENOSINE
Formula:C10 H12 Cl N5 O3
SMILES:ClCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
Definition date:2005-09-30
Last modified:2011-06-04
Identifier:5'-chloro-5'-deoxyadenosine
5CF
5CF
Name:5-fluorocytidine 5'-(dihydrogen phosphate)
Formula:C9 H13 F N3 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)C(O)C2O
InChi:InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:2009-10-05
Last modified:2011-06-04
Identifier:5-fluorocytidine 5'-(dihydrogen phosphate)
5CG
5CG
Name:5'-CHLORO-5'-DEOXY-GUANOSINE
Formula:C10 H12 Cl N5 O4
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CCl
InChi:InChI=1S/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1
Definition date:2002-07-25
Last modified:2011-06-04
Identifier:5'-chloro-5'-deoxyguanosine
5CM
5CM
Name:5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(N)C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C
InChi:InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate)
5CP
5CP
Name:[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
Formula:C19 H20 N8
SMILES:N#CCc1ccc(cc1)Nc2nc(NC)cc(n2)Nc3nnc(c3)C4CC4
InChi:InChI=1S/C19H20N8/c1-21-16-11-17(23-18-10-15(26-27-18)13-4-5-13)25-19(24-16)22-14-6-2-12(3-7-14)8-9-20/h2-3,6-7,10-11,13H,4-5,8H2,1H3,(H4,21,22,23,24,25,26,27)
Definition date:2007-11-29
Last modified:2011-06-04
Identifier:[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
O40
O40
Name:4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
Formula:C23 H24 F3 N3 O5
SMILES:O=C(O)c1ccc(cc1)NC(=O)N(C)CCCOc3ccc2c(onc2C(F)(F)F)c3CCC
InChi:InChI=1S/C23H24F3N3O5/c1-3-5-16-18(11-10-17-19(16)34-28-20(17)23(24,25)26)33-13-4-12-29(2)22(32)27-15-8-6-14(7-9-15)21(30)31/h6-11H,3-5,12-13H2,1-2H3,(H,27,32)(H,30,31)
Definition date:2009-08-19
Last modified:2011-06-04
Identifier:4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
5DE
5DE
Name:1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Formula:C14 H17 N3 O2
SMILES:O=C(OCC)c2c(nn(c1ccc(N)cc1)c2C)C
InChi:InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3
Definition date:2004-11-23
Last modified:2011-06-04
Identifier:ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
5DP
5DP
Name:5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
Formula:C27 H46 N2 O16
SMILES:O=C1N(C(=O)CC1)CCCCC(=O)NCCOCCOCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C27H46N2O16/c30-13-15-20(35)21(36)23(38)27(43-15)45-25-16(14-31)44-26(24(39)22(25)37)42-12-11-41-10-9-40-8-6-28-17(32)3-1-2-7-29-18(33)4-5-19(29)34/h15-16,20-27,30-31,35-39H,1-14H2,(H,28,32)/t15-,16-,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1
Definition date:2008-03-13
Last modified:2011-06-04
Identifier:5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
5EA
5EA
Name:5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE
Formula:C20 H19 F3 I N5 O2
SMILES:Ic1ccc(c(F)c1)Nc2c(F)c(F)ccc2c3nnc(o3)NCCN4CCOCC4
InChi:InChI=1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28)
Definition date:2004-02-10
Last modified:2011-06-04
Identifier:5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
5EE
5EE
Name:5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:C14 H10 Cl2 N2 O3 S4
SMILES:O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Cl)c(Cl)c2)c3sccc3
InChi:InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1
Definition date:2005-09-22
Last modified:2011-06-04
Identifier:N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
5F1
5F1
Name:5'-FLUORO-2',5'-DIDEOXYADENOSINE
Formula:C10 H12 F N5 O2
SMILES:FCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
Definition date:2005-10-26
Last modified:2011-06-04
Identifier:2',5'-dideoxy-5'-fluoroadenosine
5FA
5FA
Name:ADENOSINE-5'-PENTAPHOSPHATE
Formula:C10 H18 N5 O19 P5
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:2004-03-10
Last modified:2011-06-04
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine

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數據於2024-09-11公開中

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