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D2Q
D2Q
表記:ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
組成式:C23 H29 N5 O4
SMILES:O=C(OCC)CCCCOc1ccc(OC)cc1Cc2c(c3c(nc2)nc(nc3N)N)C
InChi:InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-18-9-8-17(30-3)12-15(18)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28)
定義日:2010-07-19
最終更新日:2011-06-04
識別子（ID）:ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
D3
D3
表記:1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(3-BENZAMIDO)PHENYLIMIDAZOLE
組成式:C21 H22 N3 O7 P
SMILES:O=C(c1ccccc1)Nc4cccc(c2ncn(c2)C3OC(C(O)C3)COP(=O)(O)O)c4
InChi:InChI=1S/C21H22N3O7P/c25-18-10-20(31-19(18)12-30-32(27,28)29)24-11-17(22-13-24)15-7-4-8-16(9-15)23-21(26)14-5-2-1-3-6-14/h1-9,11,13,18-20,25H,10,12H2,(H,23,26)(H2,27,28,29)/t18-,19+,20+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-{3-[(phenylcarbonyl)amino]phenyl}-1H-imidazole
D32
D32
表記:(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
組成式:C27 H23 F3 O5 S
SMILES:FC(F)(F)c3ccc(OCc2ccc(Sc1c(c(c(OCC(=O)O)cc1)C)C)c(OCC#C)c2)cc3
InChi:InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
定義日:2009-04-07
最終更新日:2011-06-04
識別子（ID）:(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
D33
D33
表記:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
組成式:C8 H13 N2 O6 P
SMILES:O=P(O)(O)OCC2OC(n1cncc1)CC2O
InChi:InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1
定義日:2008-07-09
最終更新日:2011-06-04
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
D38
D38
表記:N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine
組成式:C22 H31 N5 O5
SMILES:O=C(O)C(NC(=O)C(C(C)C)Cc1nnn(c1)Cc2ccc(C(=O)O)cc2)CCCCN
InChi:InChI=1S/C22H31N5O5/c1-14(2)18(20(28)24-19(22(31)32)5-3-4-10-23)11-17-13-27(26-25-17)12-15-6-8-16(9-7-15)21(29)30/h6-9,13-14,18-19H,3-5,10-12,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t18-,19-/m0/s1
定義日:2009-02-02
最終更新日:2011-06-04
識別子（ID）:N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine
D3E
D3E
表記:N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
組成式:C24 H27 F3 N2 O2
SMILES:FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3cccnc3)CC4)C
InChi:InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1
定義日:2008-05-12
最終更新日:2011-06-04
識別子（ID）:N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
D3G
D3G
表記:(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
組成式:C10 H10 N2 O
SMILES:n2cc(c1oc(cc1)CN)ccc2
InChi:InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
定義日:2005-12-15
最終更新日:2011-06-04
識別子（ID）:1-(5-pyridin-3-ylfuran-2-yl)methanamine
D3T
D3T
表記:2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE
組成式:C10 H17 N2 O13 P3
SMILES:CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
定義日:2004-06-28
最終更新日:2011-06-04
識別子（ID）:(hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
D3X
D3X
表記:N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide
組成式:C17 H26 N2 O11 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N(CCOC2OC(C(O)C(O)C2O)CO)CC(=O)NO
InChi:InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1
定義日:2010-06-01
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide
D3Z
D3Z
表記:1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:C9 H12 N2 O5
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C
InChi:InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1
定義日:2008-05-14
最終更新日:2011-06-04
識別子（ID）:1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
D4G
D4G
表記:4,4'-DIPYRIDYL DISULFIDE
組成式:C10 H8 N2 S2
SMILES:S(Sc1ccncc1)c2ccncc2
InChi:InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
定義日:2005-12-15
最終更新日:2011-06-04
識別子（ID）:4,4'-disulfanediyldipyridine
DY6
DY6
表記:2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
組成式:C23 H20 N2 O5 S
SMILES:O=C(O)c1ccccc1NC(=O)c2cc(ccc2)S(=O)(=O)N4Cc3c(cccc3)CC4
InChi:InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)
定義日:2008-07-28
最終更新日:2011-06-04
識別子（ID）:2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
DYB
DYB
表記:4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM
組成式:C6 H15 B N O3
SMILES:O(B1OCCO1)CCCC[NH3+]
InChi:InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1
定義日:2004-02-02
最終更新日:2011-06-04
識別子（ID）:4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium
DYY
DYY
表記:1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
組成式:C18 H18 F2 N2 O6 S2
SMILES:Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
InChi:InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2
定義日:2009-03-25
最終更新日:2011-06-04
識別子（ID）:1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
DZ2
DZ2
表記:2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
組成式:C13 H7 Br2 Cl2 N O2
SMILES:Brc1cc(cc(Br)c1O)NC(=O)c2cc(Cl)ccc2Cl
InChi:InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20)
定義日:2008-10-07
最終更新日:2011-06-04
識別子（ID）:2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
DZ4
DZ4
表記:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
組成式:C10 H17 N6 O11 P3
SMILES:O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H17N6O11P3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(26-7)2-25-28(18,19)15-29(20,21)27-30(22,23)24/h3-7,17H,1-2H2,(H2,11,12,13)(H2,22,23,24)(H3,15,18,19,20,21)/t5-,6+,7+/m0/s1
定義日:2010-04-29
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
DZ9
DZ9
表記:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
組成式:C18 H12 F N3 O S2
SMILES:Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4
InChi:InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
定義日:2009-05-12
最終更新日:2011-06-04
識別子（ID）:3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
DZD
DZD
表記:5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
組成式:C24 H33 N7 O11 P2
SMILES:O=C(N)c1cc(ccc1)CN2CC(O)C(C2)COP(=O)(O)CP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O
InChi:InChI=1S/C24H33N7O11P2/c25-21-18-23(28-10-27-21)31(11-29-18)24-20(34)19(33)17(42-24)9-41-44(38,39)12-43(36,37)40-8-15-6-30(7-16(15)32)5-13-2-1-3-14(4-13)22(26)35/h1-4,10-11,15-17,19-20,24,32-34H,5-9,12H2,(H2,26,35)(H,36,37)(H,38,39)(H2,25,27,28)/t15-,16+,17-,19-,20-,24-/m1/s1
定義日:2008-06-24
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
DZE
DZE
表記:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
組成式:C11 H19 N O5
SMILES:O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC
InChi:InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
定義日:2009-03-10
最終更新日:2011-06-04
識別子（ID）:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
DZF
DZF
表記:5-DEAZAFOLIC ACID
組成式:C20 H20 N6 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCc2cnc3NC(=NC(=O)c3c2)N)CCC(=O)O
InChi:InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-[(4-{[(2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid
DZO
DZO
表記:3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
組成式:C18 H14 Cl N5
SMILES:Clc1cccc(c1)Nc2nc3c(cnn3cc2)c4cccc(N)c4
InChi:InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)
定義日:2008-08-20
最終更新日:2011-06-04
識別子（ID）:3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
DZP
DZP
表記:7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
組成式:C16 H13 Cl N2 O
SMILES:Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3
InChi:InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
定義日:2005-07-26
最終更新日:2011-06-04
識別子（ID）:7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
E02
E02
表記:5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
組成式:C15 H12 Cl N3 O3 S
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2
InChi:InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
定義日:2010-03-22
最終更新日:2011-06-04
識別子（ID）:5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
E04
E04
表記:3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
組成式:C25 H33 N O3
SMILES:O=C(N)c1cc3c(cc1)C2CCC5(C(C2CC3)CCC54OC(=O)C(C)(C)CC4)C
InChi:InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1
定義日:2005-06-01
最終更新日:2011-06-04
識別子（ID）:(8R,9S,13S,14S,17R)-5',5',13-trimethyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-3-carboxamide
E27
E27
表記:2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
組成式:C18 H13 Cl N4 O3 S2
SMILES:O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc4nc3cnc2ccccc2c3n4
InChi:InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
定義日:2010-05-12
最終更新日:2011-06-04
識別子（ID）:2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide

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