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AFX
AFX
表記:(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
組成式:C11 H10 F N5 O3
SMILES:FC1=C(C(=O)C(O)C1n2c3ncnc(c3nc2)N)CO
InChi:InChI=1S/C11H10FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7,9,18,20H,1H2,(H2,13,14,15)/t7-,9+/m1/s1
定義日:2010-06-29
最終更新日:2011-06-04
識別子（ID）:(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
AFZ
AFZ
表記:2,4-BIS(4-AMIDINOPHENYL)FURAN
組成式:C18 H16 N4 O
SMILES:[N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3
InChi:InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-16(23-10-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
定義日:2006-05-09
最終更新日:2011-06-04
識別子（ID）:4,4'-furan-2,4-diyldibenzenecarboximidamide
AG0
AG0
表記:(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one
組成式:C29 H37 N5 O3
SMILES:O=C2OC(C1CCCC1)(CC(O)=C2Cc3nc4nc(cc(n4n3)C)C)CCc5cc(nc(c5)CC)CC
InChi:InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1
定義日:2009-01-12
最終更新日:2011-06-04
識別子（ID）:(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one
AG1
AG1
表記:RUTHENIUM PYRIDOCARBAZOLE
組成式:C27 H17 F N4 O7 Ru
SMILES:O=C(O)C(NC(=O)C1(C=CC=C1)[Ru]7(C#[O+])n3c2c6c(c5c(c2c4c3ccc(O)c4)C(=O)NC5=O)cc(F)c[n+]67)C
InChi:InChI=1S/C17H8FN3O3.C9H10NO3.CO.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
定義日:2008-09-08
最終更新日:2011-06-04
識別子（ID）:carbonyl(1-{[(1S)-1-carboxyethyl]carbamoyl}cyclopenta-2,4-dien-1-yl)(3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')ruthenium(2+)
AG5
AG5
表記:N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
組成式:C20 H19 N3 O3 S2
SMILES:O=S(=O)(c2cnc(Sc1ccccc1)c(c2)C(=O)NCCc3ccccc3)N
InChi:InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)
定義日:2008-11-11
最終更新日:2011-06-04
識別子（ID）:N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
AGB
AGB
表記:N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA
組成式:C19 H27 N5 O
SMILES:O=C(NCc1ccc(NC(=[N@H])N)cc1)NC24CC3CC(CC(C2)C3)C4
InChi:InChI=1S/C19H27N5O/c20-17(21)23-16-3-1-12(2-4-16)11-22-18(25)24-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H4,20,21,23)(H2,22,24,25)/t13-,14+,15-,19-
定義日:2000-04-25
最終更新日:2011-06-04
識別子（ID）:1-(4-carbamimidamidobenzyl)-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]urea
AGH
AGH
表記:N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
組成式:C50 H99 N O9
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
定義日:2005-06-06
最終更新日:2011-06-04
識別子（ID）:N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide
AGN
AGN
表記:PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER
組成式:C18 H24 N7 O13 P3
SMILES:O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)CC4OC(=O)c3ccccc3NC
InChi:InChI=1S/C18H24N7O13P3/c1-20-10-5-3-2-4-9(10)17(27)37-11-6-13(25-8-21-14-15(25)22-18(19)23-16(14)26)36-12(11)7-35-41(33,34)38-40(31,32)24-39(28,29)30/h2-5,8,11-13,20H,6-7H2,1H3,(H,33,34)(H3,19,22,23,26)(H4,24,28,29,30,31,32)/t11-,12+,13+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine
AGX
AGX
表記:(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
組成式:C16 H13 Cl2 N3 O2
SMILES:Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C
InChi:InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
定義日:2009-09-18
最終更新日:2011-06-04
識別子（ID）:(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
AHC
AHC
表記:4-AMINOHYDROCINNAMIC ACID
組成式:C9 H11 N O2
SMILES:O=C(O)CCc1ccc(N)cc1
InChi:InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-(4-aminophenyl)propanoic acid
AHT
AHT
表記:4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL
組成式:C11 H18 N2 O2
SMILES:Oc1ccc(cc1)CC(N)CCC(O)N
InChi:InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol
AHU
AHU
表記:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL
組成式:C10 H13 I N2 O5
SMILES:IC1=CN(C(=O)NC1=O)C2CC(O)C(OC2)CO
InChi:InChI=1S/C10H13IN2O5/c11-6-2-13(10(17)12-9(6)16)5-1-7(15)8(3-14)18-4-5/h2,5,7-8,14-15H,1,3-4H2,(H,12,16,17)/t5-,7-,8+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,5-anhydro-2,3-dideoxy-2-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-D-arabino-hexitol
AHX
AHX
表記:SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE
組成式:C13 H20 N7 O9 P
SMILES:O=P(O)(ONC(=O)C(N)CO)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-O-{(S)-hydroxy[(L-serylamino)oxy]phosphoryl}adenosine
AIA
AIA
表記:(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
組成式:C14 H23 N3 O
SMILES:O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2
InChi:InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1
定義日:2006-03-28
最終更新日:2011-06-04
識別子（ID）:(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
AIF
AIF
表記:[(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
組成式:C9 H15 N4 O9 P
SMILES:O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N
InChi:InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1
定義日:2008-10-22
最終更新日:2011-06-04
識別子（ID）:(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name)
AIK
AIK
表記:N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
組成式:C25 H34 N8 O4 S
SMILES:O=C(Nc1nc(C(=O)NCCCN(C)C)c(s1)C(C)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C
InChi:InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36)
定義日:2003-12-05
最終更新日:2011-06-04
識別子（ID）:N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(1-methylethyl)-1,3-thiazole-4-carboxamide
AIO
AIO
表記:[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
組成式:C13 H26 B N3 O4
SMILES:O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC
InChi:InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1
定義日:2007-02-23
最終更新日:2011-06-04
識別子（ID）:[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid
AIQ
AIQ
表記:2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
組成式:C12 H12 N6 O S
SMILES:O=C1c2c(N=C(N)N1)c(cc(N)c2)CSc3nccn3
InChi:InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4H,5,13H2,(H,15,16)(H3,14,17,18,19)
定義日:2001-10-16
最終更新日:2011-06-04
識別子（ID）:2,6-diamino-8-[(1H-imidazol-2-ylsulfanyl)methyl]quinazolin-4(3H)-one
AIR
AIR
表記:5-AMINOIMIDAZOLE RIBONUCLEOTIDE
組成式:C8 H14 N3 O7 P
SMILES:O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
InChi:InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
定義日:1999-10-21
最終更新日:2011-06-04
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine
AIS
AIS
表記:5-AMINOIMIDAZOLE RIBONUCLEOSIDE
組成式:C8 H13 N3 O4
SMILES:n1cc(n(c1)C2OC(C(O)C2O)CO)N
InChi:InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1
定義日:2004-10-05
最終更新日:2011-06-04
識別子（ID）:1-beta-D-ribofuranosyl-1H-imidazol-5-amine
AJM
AJM
表記:AJMALINE
組成式:C18 H22 N2 O2
SMILES:OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C
InChi:InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1
定義日:2005-06-03
最終更新日:2011-06-04
識別子（ID）:(5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol
AJZ
AJZ
表記:3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
組成式:C16 H15 N3 O2 S
SMILES:Oc1cccc(c1)c2nc3ccsc3c(n2)N4CCOCC4
InChi:InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
定義日:2010-02-15
最終更新日:2011-06-04
識別子（ID）:3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
AK1
AK1
表記:1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
組成式:C19 H15 F3 N6 O S2
SMILES:FC(F)(F)c1cc(ccc1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3
InChi:InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
定義日:2008-05-05
最終更新日:2011-06-04
識別子（ID）:1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
AK2
AK2
表記:1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
組成式:C18 H15 Cl N6 O S2
SMILES:Clc1cccc(c1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3
InChi:InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
定義日:2008-05-05
最終更新日:2011-06-04
識別子（ID）:1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
AK4
AK4
表記:(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid
組成式:C19 H17 Cl N8 O3 S
SMILES:O=C(Nc1ncc(s1)CCNc3ncnc2c3n(nc2)CC(=O)O)Nc4cccc(Cl)c4
InChi:InChI=1S/C19H17ClN8O3S/c20-11-2-1-3-12(6-11)26-18(31)27-19-22-7-13(32-19)4-5-21-17-16-14(23-10-24-17)8-25-28(16)9-15(29)30/h1-3,6-8,10H,4-5,9H2,(H,29,30)(H,21,23,24)(H2,22,26,27,31)
定義日:2008-05-12
最終更新日:2011-06-04
識別子（ID）:(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid

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