![NIU NIU](https://data.pdbj.org/pdbjplus/data/cc/svg/NIU.svg) | NIU | 表記: | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE | 組成式: | C19 H22 O3 | SMILES: | O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCC3 | InChi: | InChI=1S/C19H22O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14,20H,2,4,7-8,11-12H2,1H3/t14-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-hydroxy-3-[(1S)-1-phenylpropyl]-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one |
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![PMD PMD](https://data.pdbj.org/pdbjplus/data/cc/svg/PMD.svg) | PMD | 表記: | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | 組成式: | C21 H17 N7 | SMILES: | n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cccc4 | InChi: | InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27) | 定義日: | 2002-01-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-(5H-dibenzo[b,f]azepin-5-ylmethyl)pteridine-2,4-diamine |
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![UIN UIN](https://data.pdbj.org/pdbjplus/data/cc/svg/UIN.svg) | UIN | 表記: | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE | 組成式: | C20 H24 O3 | SMILES: | O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCCC3 | InChi: | InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3/t15-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-hydroxy-3-[(1S)-1-phenylpropyl]-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-2-one |
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![5SC 5SC](https://data.pdbj.org/pdbjplus/data/cc/svg/5SC.svg) | 5SC | 表記: | 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide | 組成式: | C19 H16 Br N5 O | SMILES: | [O-][n+]1cccc(c1)CNc2cc(nc3c(Br)cnn23)c4ccccc4C | InChi: | InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3 | 定義日: | 2007-09-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
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![KAR KAR](https://data.pdbj.org/pdbjplus/data/cc/svg/KAR.svg) | KAR | 表記: | 3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE | 組成式: | C46 H56 Cl N5 O7 | SMILES: | O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c%10cc6c(N(C7C5(OC(=O)N(C5=O)CCCl)CC9(C=CCN8CCC67C89)CC)C)cc%10OC | InChi: | InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1 | 定義日: | 2004-09-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | methyl (5S,7R,9S)-9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate |
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![YM4 YM4](https://data.pdbj.org/pdbjplus/data/cc/svg/YM4.svg) | YM4 | 表記: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE | 組成式: | C26 H31 Br N8 O | SMILES: | Brc4cnc3nc(c2ccc(N1CCN(C)CC1)cc2)nc3c4N6CCN(Cc5noc(c5)C)CC6 | InChi: | InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30) | 定義日: | 2010-02-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridine |
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![S22 S22](https://data.pdbj.org/pdbjplus/data/cc/svg/S22.svg) | S22 | 表記: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol | 組成式: | C28 H33 N5 O4 S | SMILES: | O=S(=O)(c1ccccc1Nc2cc(nc3c2ccn3)Nc4c(OC)cc(cc4)N5CCC(O)CC5)C(C)C | InChi: | InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32) | 定義日: | 2009-03-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol |
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![S2C S2C](https://data.pdbj.org/pdbjplus/data/cc/svg/S2C.svg) | S2C | 表記: | S-2-(BORONOETHYL)-L-CYSTEINE | 組成式: | C5 H13 B N O5 S | SMILES: | O=C(O)C(N)CSCC[B-](O)(O)O | InChi: | InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1 | 定義日: | 2000-12-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}ethyl)(trihydroxy)borate(1-) |
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![XNC XNC](https://data.pdbj.org/pdbjplus/data/cc/svg/XNC.svg) | XNC | 表記: | (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide | 組成式: | C34 H32 F N3 O5 S | SMILES: | Fc2cc(OCc1ccccc1)ccc2C5C6=C(Nc3c(O)cccc3N5C(=O)c4nc(ccc4)C)CC(CS6(=O)=O)(C)C | InChi: | InChI=1S/C34H32FN3O5S/c1-21-9-7-12-26(36-21)33(40)38-28-13-8-14-29(39)30(28)37-27-18-34(2,3)20-44(41,42)32(27)31(38)24-16-15-23(17-25(24)35)43-19-22-10-5-4-6-11-22/h4-17,31,37,39H,18-20H2,1-3H3/t31-/m0/s1 | 定義日: | 2009-03-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide |
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![XND XND](https://data.pdbj.org/pdbjplus/data/cc/svg/XND.svg) | XND | 表記: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | 組成式: | C23 H22 Cl2 N2 O3 | SMILES: | Clc1ccc(c(Cl)c1)C3C4=C(Nc2c(cccc2O)N3C(=O)C)CC(CC4=O)(C)C | InChi: | InChI=1S/C23H22Cl2N2O3/c1-12(28)27-17-5-4-6-18(29)21(17)26-16-10-23(2,3)11-19(30)20(16)22(27)14-8-7-13(24)9-15(14)25/h4-9,22,26,29H,10-11H2,1-3H3/t22-/m0/s1 | 定義日: | 2009-04-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
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![PNI PNI](https://data.pdbj.org/pdbjplus/data/cc/svg/PNI.svg) | PNI | 表記: | TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL | 組成式: | C44 H36 N8 Ni | SMILES: | c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C=C2)C)c3ccc/9n3[Ni]45n6c(cc7)C9=C8/C=CN(C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12C=CN(C=C%12)C | InChi: | InChI=1S/C44H36N8.Ni/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31 | 定義日: | 2000-03-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | [5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]nickel |
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![XNI XNI](https://data.pdbj.org/pdbjplus/data/cc/svg/XNI.svg) | XNI | 表記: | (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | 組成式: | C30 H29 Cl N2 O3 | SMILES: | Clc2c(OCc1ccccc1)ccc(c2)C4C5=C(Nc3ccccc3N4C(=O)C)CC(CC5=O)(C)C | InChi: | InChI=1S/C30H29ClN2O3/c1-19(34)33-25-12-8-7-11-23(25)32-24-16-30(2,3)17-26(35)28(24)29(33)21-13-14-27(22(31)15-21)36-18-20-9-5-4-6-10-20/h4-15,29,32H,16-18H2,1-3H3/t29-/m0/s1 | 定義日: | 2008-04-13 | 最終更新日: | 2011-06-04 | 識別子(ID): | (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
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![NKX NKX](https://data.pdbj.org/pdbjplus/data/cc/svg/NKX.svg) | NKX | 表記: | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate | 組成式: | C14 H20 N4 O12 S3 | SMILES: | [O-][N+](=O)OCC(O[N+]([O-])=O)COC(=O)N(C2c1cc(sc1S(=O)(=O)C(C2)C)S(=O)(=O)N)CC | InChi: | InChI=1S/C14H20N4O12S3/c1-3-16(14(19)28-6-9(30-18(22)23)7-29-17(20)21)11-4-8(2)32(24,25)13-10(11)5-12(31-13)33(15,26)27/h5,8-9,11H,3-4,6-7H2,1-2H3,(H2,15,26,27)/t8-,9-,11-/m0/s1 | 定義日: | 2009-10-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate |
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![TBT TBT](https://data.pdbj.org/pdbjplus/data/cc/svg/TBT.svg) | TBT | 表記: | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL | 組成式: | C18 H16 O3 | SMILES: | OC4c3c(cc1c(ccc2ccccc12)c3)CC(O)C4O | InChi: | InChI=1S/C18H16O3/c19-16-9-12-8-14-11(7-15(12)17(20)18(16)21)6-5-10-3-1-2-4-13(10)14/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1 | 定義日: | 1999-12-06 | 最終更新日: | 2011-06-04 | 識別子(ID): | (8S,9S,10S)-8,9,10,11-tetrahydrotetraphene-8,9,10-triol |
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![XNZ XNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XNZ.svg) | XNZ | 表記: | (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | 組成式: | C30 H29 Cl N2 O4 | SMILES: | Clc2cc(OCc1ccccc1)ccc2C4C5=C(Nc3c(cccc3O)N4C(=O)C)CC(CC5=O)(C)C | InChi: | InChI=1S/C30H29ClN2O4/c1-18(34)33-24-10-7-11-25(35)28(24)32-23-15-30(2,3)16-26(36)27(23)29(33)21-13-12-20(14-22(21)31)37-17-19-8-5-4-6-9-19/h4-14,29,32,35H,15-17H2,1-3H3/t29-/m0/s1 | 定義日: | 2009-03-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
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![PO5 PO5](https://data.pdbj.org/pdbjplus/data/cc/svg/PO5.svg) | PO5 | 表記: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol | 組成式: | C25 H30 N8 O3 | SMILES: | n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)C)cc2)c3ccc4N5CCOCC5 | InChi: | InChI=1S/C25H30N8O3/c1-31(2)16-19(34)17-36-20-5-3-18(4-6-20)28-25-26-10-9-22(29-25)21-15-27-33-23(21)7-8-24(30-33)32-11-13-35-14-12-32/h3-10,15,19,34H,11-14,16-17H2,1-2H3,(H,26,28,29)/t19-/m0/s1 | 定義日: | 2008-09-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol |
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![TC1 TC1](https://data.pdbj.org/pdbjplus/data/cc/svg/TC1.svg) | TC1 | 表記: | 3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE | 組成式: | C15 H16 N3 O7 P S | SMILES: | O=P(O)(O)OCC4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O | InChi: | InChI=1S/C15H16N3O7PS/c19-9-5-13(25-10(9)7-24-26(21,22)23)18-6-12-14(17-15(18)20)16-8-3-1-2-4-11(8)27-12/h1-4,6,9-10,13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,10+,13+/m0/s1 | 定義日: | 2004-07-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one |
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![UKC UKC](https://data.pdbj.org/pdbjplus/data/cc/svg/UKC.svg) | UKC | 表記: | 8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE | 組成式: | C17 H17 N5 O | SMILES: | n3c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC | InChi: | InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 9-ethyl-7-methoxy-3-methyl-9H-imidazo[1,2-d]dipyrido[2,3-b:3',2'-f][1,4]diazepine |
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![TQP TQP](https://data.pdbj.org/pdbjplus/data/cc/svg/TQP.svg) | TQP | 表記: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 組成式: | C24 H35 N4 O19 P3 | SMILES: | O=P(OC2OC(C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O | InChi: | InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20-,21-,23-/m1/s1 | 定義日: | 2009-01-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![SX8 SX8](https://data.pdbj.org/pdbjplus/data/cc/svg/SX8.svg) | SX8 | 表記: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | 組成式: | C18 H13 N7 S | SMILES: | n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C | InChi: | InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3 | 定義日: | 2008-07-09 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline |
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![TR2 TR2](https://data.pdbj.org/pdbjplus/data/cc/svg/TR2.svg) | TR2 | 表記: | thieno[3,2-b]pyridin-7-ol | 組成式: | C7 H5 N O S | SMILES: | n1ccc(O)c2sccc12 | InChi: | InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9) | 定義日: | 2010-06-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | thieno[3,2-b]pyridin-7-ol |
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![X92 X92](https://data.pdbj.org/pdbjplus/data/cc/svg/X92.svg) | X92 | 表記: | RAMIPRILAT | 組成式: | C21 H28 N2 O5 | SMILES: | O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCC12)C)CCc3ccccc3 | InChi: | InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16+,17-,18-/m0/s1 | 定義日: | 2010-03-14 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S,3aS,6aS)-1-[(2S)-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name) |
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![TCR TCR](https://data.pdbj.org/pdbjplus/data/cc/svg/TCR.svg) | TCR | 表記: | CYCLOMETHYLTRYPTOPHAN | 組成式: | C12 H12 N2 O2 | SMILES: | O=C(O)C3NCc1c(c2c(n1)cccc2)C3 | InChi: | InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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![TCY TCY](https://data.pdbj.org/pdbjplus/data/cc/svg/TCY.svg) | TCY | 表記: | (2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate | 組成式: | C13 H16 N5 O6 P | SMILES: | O=P(O)(O)OC54CC5CC3(O)C4OC(n1c2ncnc(N)c2nc1)C3 | InChi: | InChI=1S/C13H16N5O6P/c14-9-8-10(16-4-15-9)18(5-17-8)7-3-12(19)1-6-2-13(6,11(12)23-7)24-25(20,21)22/h4-7,11,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)/t6-,7-,11+,12+,13-/m1/s1 | 定義日: | 2007-11-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate |
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![PP9 PP9](https://data.pdbj.org/pdbjplus/data/cc/svg/PP9.svg) | PP9 | 表記: | PROTOPORPHYRIN IX | 組成式: | C34 H34 N4 O4 | SMILES: | O=C(O)CCc5c2nc(cc4nc(cc1c(c(C=C)c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(C=C)=C4C)c5C | InChi: | InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid |
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