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奥氮平CAS号: 132539-06-1分子式: C17H20N4S 分子量: 312.43IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepineSMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CInChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-NInChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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托吡卡胺分子式: C17H20N2O2 分子量: 284.35IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamideSMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-NInChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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氯氮平CAS号: 5786-21-0分子式: C18H19ClN4 分子量: 326.82IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-NInChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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甘罗溴铵分子式: C19H28NO3·Br 分子量: 398.33IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromideSMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-MInChI: 1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
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苄索氯铵分子式: C27H42ClNO2 分子量: 448.08IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorideSMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-MInChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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MepazineCAS号: 60-89-9分子式: C19H22N2S 分子量: 310.46IUPAC Name: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazineSMILES: CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42InChIKey: CBHCDHNUZWWAPP-UHFFFAOYSA-NInChI: 1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
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BI-882370CAS号: 1392429-79-6 Compound CID : 60152613分子式: C28H33F2N7O2S 分子量: 569.67IUPAC Name: N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamideSMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)FInChIKey: AEJACXAFHXBVHF-UHFFFAOYSA-NInChI: 1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3
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Raf inhibitor 1CAS号: 1093100-40-3 Compound CID : 44223999分子式: C26H19ClN8 分子量: 478.9IUPAC Name: 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamineSMILES: CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6InChIKey: KKVYYGGCHJGEFJ-UHFFFAOYSA-NInChI: 1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
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