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5CB
5CB
表記:N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
組成式: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
定義日:2005-07-04
最終更新日:2011-06-04
識別子（ID）: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
表記:5'-CHLORO-5'-DEOXYADENOSINE
組成式: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
定義日:2005-09-30
最終更新日:2011-06-04
識別子（ID）:5'-chloro-5'-deoxyadenosine
5CF
5CF
表記:5-fluorocytidine 5'-(dihydrogen phosphate)
組成式: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
定義日:2009-10-05
最終更新日:2011-06-04
識別子（ID）:5-fluorocytidine 5'-(dihydrogen phosphate)
5CG
5CG
表記:5'-CHLORO-5'-DEOXY-GUANOSINE
組成式: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
定義日:2002-07-25
最終更新日:2011-06-04
識別子（ID）:5'-chloro-5'-deoxyguanosine
5CM
5CM
表記:5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
組成式: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
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate)
5CP
5CP
表記:[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
組成式: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)
定義日:2007-11-29
最終更新日:2011-06-04
識別子（ID）:[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
5DE
5DE
表記:1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
組成式: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
定義日:2004-11-23
最終更新日:2011-06-04
識別子（ID）:ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
5DP
5DP
表記:5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
組成式: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
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）: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
表記:5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE
組成式: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)
定義日:2004-02-10
最終更新日:2011-06-04
識別子（ID）:5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
5EE
5EE
表記:5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
組成式: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
定義日:2005-09-22
最終更新日:2011-06-04
識別子（ID）:N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
5F1
5F1
表記:5'-FLUORO-2',5'-DIDEOXYADENOSINE
組成式: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
定義日:2005-10-26
最終更新日:2011-06-04
識別子（ID）:2',5'-dideoxy-5'-fluoroadenosine
5FA
5FA
表記:ADENOSINE-5'-PENTAPHOSPHATE
組成式: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
定義日:2004-03-10
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine
5FE
5FE
表記:5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER
組成式:C29 H47 F6 N5 O9
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(F)(F)F)C(O)CC(=O)NC(C(=O)NC(C(O)CC(=O)OC)C(F)(F)F)C)C(C)C)C(C)C)CC(C)C
InChi:InChI=1S/C29H47F6N5O9/c1-12(2)9-18(43)37-21(13(3)4)26(47)38-22(14(5)6)27(48)40-23(28(30,31)32)16(41)10-19(44)36-15(7)25(46)39-24(29(33,34)35)17(42)11-20(45)49-8/h12-17,21-24,41-42H,9-11H2,1-8H3,(H,36,44)(H,37,43)(H,38,47)(H,39,46)(H,40,48)/t15-,16-,17-,21-,22-,23+,24+/m0/s1
定義日:2004-09-16
最終更新日:2011-06-04
識別子（ID）:methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate (non-preferred name)
5FH
5FH
表記:(5S)-5-benzylimidazolidine-2,4-dione
組成式:C10 H10 N2 O2
SMILES:O=C1NC(C(=O)N1)Cc2ccccc2
InChi:InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1
定義日:2008-09-12
最終更新日:2011-06-04
識別子（ID）:(5S)-5-benzylimidazolidine-2,4-dione
5FN
5FN
表記:(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
組成式:C8 H12 F N O5
SMILES:FC1(OC2OC(=NC2C(O)C1O)C)CO
InChi:InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1
定義日:2009-11-30
最終更新日:2011-06-04
識別子（ID）:(3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol
5FP
5FP
表記:5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID
組成式:C28 H45 F6 N5 O9
SMILES:O=C(NC(C(O)CC(=O)O)C(F)(F)F)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C
InChi:InChI=1S/C28H45F6N5O9/c1-11(2)8-17(42)36-20(12(3)4)25(47)37-21(13(5)6)26(48)39-22(27(29,30)31)15(40)9-18(43)35-14(7)24(46)38-23(28(32,33)34)16(41)10-19(44)45/h11-16,20-23,40-41H,8-10H2,1-7H3,(H,35,43)(H,36,42)(H,37,47)(H,38,46)(H,39,48)(H,44,45)/t14-,15-,16-,20-,21-,22+,23+/m0/s1
定義日:2004-09-16
最終更新日:2011-06-04
識別子（ID）:(6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oic acid (non-preferred name)
5FU
5FU
表記:5-FLUORO-URIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 F N2 O9 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O9P/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
定義日:2007-02-02
最終更新日:2011-06-04
識別子（ID）:5-fluorouridine 5'-(dihydrogen phosphate)
5GP
5GP
表記:GUANOSINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(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
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-guanylic acid
5H
5H
表記:5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
組成式:C16 H13 Br N2 O3 S3
SMILES:O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
定義日:2005-09-22
最終更新日:2011-06-04
識別子（ID）:N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
5HD
5HD
表記:5-(2-hydroxyethyl)nonane-1,9-diol
組成式:C11 H24 O3
SMILES:OCCCCC(CCO)CCCCO
InChi:InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2
定義日:2008-07-24
最終更新日:2011-06-04
識別子（ID）:5-(2-hydroxyethyl)nonane-1,9-diol
5HI
5HI
表記:(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
組成式:C28 H34 F N3 O6
SMILES:O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NC(c3ccccc3)CO)C(C)C
InChi:InChI=1S/C28H34FN3O6/c1-17(2)26-25(28(38)30-23(16-33)18-6-4-3-5-7-18)31-27(19-8-10-20(29)11-9-19)32(26)13-12-21(34)14-22(35)15-24(36)37/h3-11,17,21-23,33-35H,12-16H2,1-2H3,(H,30,38)(H,36,37)/t21-,22-,23-/m1/s1
定義日:2008-02-27
最終更新日:2011-06-04
識別子（ID）:(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
5HT
5HT
表記:5-HYDROXY-THYMIDINE
組成式:C10 H16 N2 O6
SMILES:O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)CO
InChi:InChI=1S/C10H16N2O6/c1-10(17)4-12(9(16)11-8(10)15)7-2-5(14)6(3-13)18-7/h5-7,13-14,17H,2-4H2,1H3,(H,11,15,16)/t5-,6+,7+,10+/m0/s1
定義日:2000-02-24
最終更新日:2011-06-04
識別子（ID）:5-hydroxythymidine
5IC
5IC
表記:5-IODO-CYTIDINE-5'-MONOPHOSPHATE
組成式:C9 H13 I N3 O8 P
SMILES:IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C9H13IN3O8P/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
定義日:2003-05-13
最終更新日:2011-06-04
識別子（ID）:4-amino-5-iodo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
5IN
5IN
表記:N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE
組成式:C28 H33 N5 O6 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)COCc2ccccc2)CO)Cc3ccccc3
InChi:InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1
定義日:2004-02-25
最終更新日:2011-06-04
識別子（ID）:N-(benzylsulfonyl)-D-seryl-O-benzyl-N-(4-carbamimidoylbenzyl)-L-serinamide
5IU
5IU
表記:5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 I N2 O8 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)

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