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LZJ
LZJ
表記:6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
組成式:C13 H9 Br2 N5
SMILES:Brc3cccc(Br)c3c1cc2c(nc1N)nc(nc2)N
InChi:InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
定義日:2008-10-02
最終更新日:2011-06-04
識別子（ID）:6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
LZL
LZL
表記:7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
組成式:C17 H15 N5
SMILES:n3c2nc(c(c1ccccc1)cc2cnc3N)N4CC=CC4
InChi:InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
定義日:2008-10-02
最終更新日:2011-06-04
識別子（ID）:7-(2,5-dihydro-1H-pyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
LZM
LZM
表記:PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
組成式:C7 H4 N4
SMILES:N#Cc1cnn2cccnc12
InChi:InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
定義日:2008-05-15
最終更新日:2011-06-04
識別子（ID）:pyrazolo[1,5-a]pyrimidine-3-carbonitrile
LZP
LZP
表記:4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
組成式:C38 H34 N2 O8
SMILES:O=C(C(=O)CC(=O)c2cccc(OCc1ccccc1)c2)N5CCN(C(=O)C(=O)CC(=O)c4cccc(OCc3ccccc3)c4)CC5
InChi:InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2
定義日:2008-09-04
最終更新日:2011-06-04
識別子（ID）:4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
LZQ
LZQ
表記:4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
組成式:C24 H21 N O4
SMILES:O=C(O)C(=O)CC(=O)c3cc(N(Cc1ccccc1)Cc2ccccc2)ccc3
InChi:InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)
定義日:2008-09-04
最終更新日:2011-06-04
識別子（ID）:4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
M03
M03
表記:1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
組成式:C18 H20 Cl N5
SMILES:Clc1ccc(cc1)C4(CCN(c2ncnc3c2ccn3)CC4)CN
InChi:InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
定義日:2008-02-08
最終更新日:2011-06-04
識別子（ID）:1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
M04
M04
表記:1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
組成式:C19 H22 Cl N5
SMILES:Clc1ccc(cc1)CC4(CCN(c2ncnc3c2ccn3)CC4)CN
InChi:InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
定義日:2008-02-08
最終更新日:2011-06-04
識別子（ID）:1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
M05
M05
表記:4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
組成式:C18 H21 Cl N5
SMILES:Clc1ccc(cc1)CC4(CCN(c2ncnc3c2ccn3)CC4)[NH3+]
InChi:InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)/p+1
定義日:2008-02-08
最終更新日:2011-06-04
識別子（ID）:4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
M1B
M1B
表記:2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
組成式:C21 H18 N6
SMILES:[N@H]=C(N)c1cc(ccc1)c4ccc(c3nc2cc(ccc2n3)C(=[N@H])N)cc4
InChi:InChI=1S/C21H18N6/c22-19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)21-26-17-9-8-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
定義日:2006-08-25
最終更新日:2011-06-04
識別子（ID）:2-(3'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-5-carboximidamide
1ZZ
1ZZ
表記:5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
組成式:C22 H36 N5 O8 P
SMILES:O=P(OC(=O)CCCCCCCCCCC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C22H36N5O8P/c1-2-3-4-5-6-7-8-9-10-11-16(28)35-36(31,32)33-12-15-18(29)19(30)22(34-15)27-14-26-17-20(23)24-13-25-21(17)27/h13-15,18-19,22,29-30H,2-12H2,1H3,(H,31,32)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1
定義日:2010-03-04
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
203
203
表記:1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE
組成式:C4 H4 N4 O3 S
SMILES:O=C2c1c(ncn1)NS(=O)(=O)N2
InChi:InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)
定義日:2005-10-07
最終更新日:2011-06-04
識別子（ID）:1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide
M1G
M1G
表記:3-(2-DEOXY-BETA-D-RIBOFURANOSYL)-PYRIDO[5,6-A]-PURINE-10-ONE-5'-MONOPHOSPHATE
組成式:C13 H14 N5 O7 P
SMILES:O=C2c3ncn(c3N=C1N=CC=CN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:InChI=1S/C13H14N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h1-3,6-9,19H,4-5H2,(H2,21,22,23)/t7-,8+,9+/m0/s1
定義日:2001-10-09
最終更新日:2011-06-04
識別子（ID）:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one
205
205
表記:2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID
組成式:C14 H7 Cl2 N O3
SMILES:Clc3cccc(Cl)c3c1nc2ccc(cc2o1)C(=O)O
InChi:InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)
定義日:2005-12-12
最終更新日:2011-06-04
識別子（ID）:2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
209
209
表記:8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
組成式:C7 H9 N5 O2
SMILES:O=C2c1nc(nc1N(C(=O)N2C)C)N
InChi:InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
定義日:2003-12-22
最終更新日:2011-06-04
識別子（ID）:8-amino-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
M22
M22
表記:3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile
組成式:C21 H13 Cl2 N3 O2
SMILES:N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1ccccc12)c3)cc(Cl)c4
InChi:InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)
定義日:2008-02-07
最終更新日:2011-06-04
識別子（ID）:3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile
M24
M24
表記:5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
組成式:C25 H21 F N7 O9 P
SMILES:O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OC(=O)c4cccc(c4)c5nc(on5)c6ccccc6F
InChi:InChI=1S/C25H21FN7O9P/c26-15-7-2-1-6-14(15)23-31-21(32-41-23)12-4-3-5-13(8-12)25(36)42-43(37,38)39-9-16-18(34)19(35)24(40-16)33-11-30-17-20(27)28-10-29-22(17)33/h1-8,10-11,16,18-19,24,34-35H,9H2,(H,37,38)(H2,27,28,29)/t16-,18-,19-,24-/m1/s1
定義日:2009-07-29
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
213
213
表記:4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID
組成式:C34 H29 F2 N3 O6 P2
SMILES:O=P(O)(O)c1cccc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O
InChi:InChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)/t33-/m1/s1
定義日:2003-08-18
最終更新日:2011-06-04
識別子（ID）:{4'-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]biphenyl-3-yl}phosphonic acid
214
214
表記:6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID
組成式:C38 H32 F2 N4 O6 P2
SMILES:O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C
InChi:InChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50)/t37-/m1/s1
定義日:2003-08-19
最終更新日:2011-06-04
識別子（ID）:(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methylquinolin-8-yl)phosphonic acid
M2G
M2G
表記:N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE
組成式:C12 H18 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O8P/c1-16(2)12-14-9-6(10(20)15-12)13-4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H,14,15,20)(H2,21,22,23)/t5-,7-,8-,11-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N,N-dimethylguanosine 5'-(dihydrogen phosphate)
M2T
M2T
表記:5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
組成式:C12 H19 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(C)C)N
InChi:InChI=1S/C12H19N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19,21H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
定義日:2009-04-15
最終更新日:2011-06-04
識別子（ID）:5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
M33
M33
表記:5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
組成式:C11 H17 N5 O9 P2
SMILES:O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C
InChi:InChI=1S/C11H17N5O9P2/c1-26(19,20)25-27(21,22)23-2-5-7(17)8(18)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
定義日:2007-11-05
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
M35
M35
表記:1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
組成式:C25 H20 F4 N4 O3 S
SMILES:O=S(=O)(c1ccccc1c2ccc(c(F)c2)NC(=O)c4cc(nn4c3cccc(c3)CN)C(F)(F)F)C
InChi:InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
定義日:2010-03-14
最終更新日:2011-06-04
識別子（ID）:1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
A04
A04
表記:5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID
組成式:C12 H7 F3 O4
SMILES:O=C(O)c2oc(c1c(OC(F)(F)F)cccc1)cc2
InChi:InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17)
定義日:2007-06-26
最終更新日:2011-06-04
識別子（ID）:5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid
M37
M37
表記:1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
組成式:C24 H19 F4 N5 O3 S
SMILES:O=S(=O)(N)c1ccccc1c2ccc(c(F)c2)NC(=O)c4cc(nn4c3c(cccc3)CN)C(F)(F)F
InChi:InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)
定義日:2010-03-14
最終更新日:2011-06-04
識別子（ID）:1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
A05
A05
表記:5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID
組成式:C11 H6 Cl N O5
SMILES:O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
InChi:InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
定義日:2007-06-26
最終更新日:2011-06-04
識別子（ID）:5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid

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