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3TU
3TU
Name:(2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
Formula:C24 H21 N5 O6 S
SMILES:O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4c2c(sc3N=C(NC(=O)c23)N)ccc4)C5)CCC(=O)O
InChi:InChI=1S/C24H21N5O6S/c25-24-27-20(32)19-18-11(2-1-3-16(18)36-21(19)28-24)9-26-13-4-5-14-12(8-13)10-29(22(14)33)15(23(34)35)6-7-17(30)31/h1-5,8,15,26H,6-7,9-10H2,(H,30,31)(H,34,35)(H3,25,27,28,32)/t15-/m0/s1
Definition date:2010-07-08
Last modified:2011-06-04
Identifier:(2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
3TZ
3TZ
Name:N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid
Formula:C23 H21 N5 O6 S
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCc4c2c(sc3N=C(NC(=O)c23)N)ccc4)CCC(=O)O
InChi:InChI=1S/C23H21N5O6S/c24-23-27-20(32)18-17-12(2-1-3-15(17)35-21(18)28-23)10-25-13-6-4-11(5-7-13)19(31)26-14(22(33)34)8-9-16(29)30/h1-7,14,25H,8-10H2,(H,26,31)(H,29,30)(H,33,34)(H3,24,27,28,32)/t14-/m0/s1
Definition date:2010-07-08
Last modified:2011-06-04
Identifier:N-(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutamic acid
CA1
CA1
Name:ETHYL PROPIONATE
Formula:C5 H10 O2
SMILES:O=C(OCC)CC
InChi:InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
Definition date:2005-09-14
Last modified:2011-06-04
Identifier:ethyl propanoate
CA4
CA4
Name:CYPROTERONE ACETATE
Formula:C24 H29 Cl O4
SMILES:O=C4C=C3C(Cl)=CC1C(CCC2(C(OC(=O)C)(C(=O)C)CCC12)C)C3(C)C5CC45
InChi:InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
Definition date:2007-03-21
Last modified:2011-06-04
Identifier:(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate
CAB
CAB
Name:4,4-dihydroxy-5-oxo-L-norvaline
Formula:C5 H9 N O5
SMILES:O=CC(O)(O)CC(C(=O)O)N
InChi:InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,4-dihydroxy-5-oxo-L-norvaline
CAG
CAG
Name:GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER]
Formula:C18 H23 N6 O16 P3
SMILES:[O-][N+](=O)c1ccccc1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)C
InChi:InChI=1S/C18H23N6O16P3/c1-8(9-4-2-3-5-10(9)24(28)29)38-42(32,33)40-43(34,35)39-41(30,31)36-6-11-13(25)14(26)17(37-11)23-7-20-12-15(23)21-18(19)22-16(12)27/h2-5,7-8,11,13-14,17,25-26H,6H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H3,19,21,22,27)/t8-,11-,13-,14-,17-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-[(S)-hydroxy{[(S)-hydroxy({(S)-hydroxy[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]guanosine
CAR
CAR
Name:CYTOSINE ARABINOSE-5'-PHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
CB3
CB3
Name:10-PROPARGYL-5,8-DIDEAZAFOLIC ACID
Formula:C24 H23 N5 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O
InChi:InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-glutamic acid
R2C
R2C
Name:5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID
Formula:C20 H17 N O4
SMILES:O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2
InChi:InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
Definition date:2007-05-29
Last modified:2011-06-04
Identifier:5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
CBC
CBC
Name:N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE
Formula:C16 H10 Cl F3 N2 O4 S
SMILES:FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c3oc2ccc(Cl)cc2c3
InChi:InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)
Definition date:2005-08-09
Last modified:2011-06-04
Identifier:5-chloro-N'-{[2-(trifluoromethyl)phenyl]sulfonyl}-1-benzofuran-2-carbohydrazide
CBD
CBD
Name:CIBACRON BLUE
Formula:C29 H20 Cl N7 O11 S3
SMILES:Clc1nc(nc(n1)Nc5ccc(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S(=O)(=O)O)cc5S(=O)(=O)O)Nc6ccccc6S(=O)(=O)O
InChi:InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
CBJ
CBJ
Name:6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Formula:C18 H12 Br N O6
SMILES:O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Br)cc3C(=O)C4=O
InChi:InChI=1S/C18H12BrNO6/c19-10-2-3-12-11(7-10)15(21)17(22)20(12)8-9-1-4-13-16(14(9)18(23)24)26-6-5-25-13/h1-4,7H,5-6,8H2,(H,23,24)
Definition date:2010-07-05
Last modified:2011-06-04
Identifier:6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CBN
CBN
Name:CLOROBIOCIN
Formula:C35 H37 Cl N2 O11
SMILES:O=C(c1ccc(O)c(c1)CC=C(/C)C)NC4=C(O)c5ccc(OC3OC(C(OC)C(OC(=O)c2ccc(n2)C)C3O)(C)C)c(Cl)c5OC4=O
InChi:InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
Definition date:2002-02-14
Last modified:2011-06-04
Identifier:N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
CBP
CBP
Name:2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE
Formula:C19 H20 Cl N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
Definition date:1999-09-13
Last modified:2011-06-04
Identifier:2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide
CBR
CBR
Name:5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 Br N3 O7 P
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13BrN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:2003-07-16
Last modified:2011-06-04
Identifier:5-bromo-2'-deoxycytidine 5'-(dihydrogen phosphate)
CBT
CBT
Name:N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
Formula:C15 H13 Cl2 N5
SMILES:Clc1ccc(cc1)CN(c2nnnn2)Cc3ccc(Cl)cc3
InChi:InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)
Definition date:2003-07-21
Last modified:2011-06-04
Identifier:N,N-bis(4-chlorobenzyl)-2H-tetrazol-5-amine
CBU
CBU
Name:(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL
Formula:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1
Definition date:2008-05-03
Last modified:2011-06-04
Identifier:(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
CBV
CBV
Name:5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C9 H13 Br N3 O8 P
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C9H13BrN3O8P/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:2006-10-19
Last modified:2011-06-04
Identifier:5-bromocytidine 5'-(dihydrogen phosphate)
CC3
CC3
Name:N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE
Formula:C21 H18 F3 N5 O
SMILES:FC(F)(F)c1cc(ccc1)Nc2nc(ncc2)Nc4cc(NC(=O)C3CC3)ccc4
InChi:InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
Definition date:2006-10-27
Last modified:2011-06-04
Identifier:N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
CC5
CC5
Name:BETA-D-ERYTHROFURANOSYL-ADENOSINE
Formula:C9 H11 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OCC(O)C3O)N
InChi:InChI=1S/C9H11N5O3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(16)4(15)1-17-9/h2-4,6,9,15-16H,1H2,(H2,10,11,12)/t4-,6-,9-/m1/s1
Definition date:2006-01-09
Last modified:2011-06-04
Identifier:(2R,3R,4R)-2-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol
CC7
CC7
Name:4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one
Formula:C9 H12 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C3OC2COP(=O)(OC2C3O)O
InChi:InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
Definition date:2008-10-20
Last modified:2011-06-04
Identifier:4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one
CCC
CCC
Name:CYTIDINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:C9 H13 N3 O10 P2
SMILES:O=P1(OC2C(OC(C2O1)COP(=O)(O)O)N3C=CC(=NC3=O)N)O
InChi:InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:2000-01-19
Last modified:2011-06-04
Identifier:[(2S,3aR,4R,6R,6aR)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate
CCO
CCO
Name:CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOL
Formula:C10 H7 Cl N2 O3 S
SMILES:Clc1cccc(c1)c2nc(SCC(=O)O)on2
InChi:InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
Definition date:2001-02-26
Last modified:2011-06-04
Identifier:{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid
CCT
CCT
Name:5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Formula:C19 H14 N2 O4 S2
SMILES:O=C(O)c2sc(cc2NS(=O)(=O)c1ccccc1C)c3ccc(C#N)cc3
InChi:InChI=1S/C19H14N2O4S2/c1-12-4-2-3-5-17(12)27(24,25)21-15-10-16(26-18(15)19(22)23)14-8-6-13(11-20)7-9-14/h2-10,21H,1H3,(H,22,23)
Definition date:2005-10-06
Last modified:2011-06-04
Identifier:5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
CD2
CD2
Name:1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid
Formula:C20 H17 N5 O2
SMILES:O=C(O)c1cc(nn1CCN)c4ccnc(c2cc3ccccc3nc2)c4
InChi:InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)
Definition date:2011-03-18
Last modified:2011-06-04
Identifier:1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid

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數據於2024-09-11公開中

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