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帕唑帕尼CAS号: 444731-52-6分子式: C21H23N7O2S 分子量: 437.53IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamideSMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)NInChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-NInChI: 1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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多萘哌齐碱CAS号: 120014-06-4分子式: C24H29NO3 · HCl · H2O 分子量: 433.97IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OCInChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-NInChI: 1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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伊立替康CAS号: 97682-44-5分子式: C33H38N4O6 分子量: 586.68IUPAC Name: [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylateSMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-NInChI: See more
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氟西汀CAS号: 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: 1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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阿夫唑嗪CAS号: 81403-80-7分子式: C19H27N5O4 分子量: 389.45IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamideSMILES: CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OCInChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-NInChI: 1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
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雷洛昔芬CAS号: 84449-90-1 Compound CID : 5035分子式: C28H27NO4S 分子量: 473.58IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanoneSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: GZUITABIAKMVPG-UHFFFAOYSA-NInChI: 1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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PazopanibCAS号: 444731-52-6分子式: C21H23N7O2S 分子量: 437.53IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamideSMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)NInChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-NInChI: 1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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RivastigmineCAS号: 123441-03-2 Compound CID : 77991分子式: C14H22N2O2 分子量: 250.34IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamateSMILES: CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)CInChIKey: XSVMFMHYUFZWBK-NSHDSACASA-NInChI: 1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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雷洛昔芬CAS号: 84449-90-1 Compound CID : 5035分子式: C28H27NO4S 分子量: 473.58IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanoneSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: GZUITABIAKMVPG-UHFFFAOYSA-NInChI: 1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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1,2,3,4-四氢吖啶-9-胺分子式: C13H14N2 分子量: 198.26IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amineSMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NInChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-NInChI: 1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
