化学生物学
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拉贝洛尔CAS号 : 36894-69-6 Compound CID : 3869分子式: C19H24N2O3 分子量: 328.41IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamideSMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OInChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-NInChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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2-甲基-4-哌嗪基喹啉CAS号 : 82241-22-3 Compound CID : 702318分子式: C14H17N3 分子量: 227.3IUPAC Name: 2-methyl-4-piperazin-1-ylquinolineSMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCNCC3InChIKey: XYBLCORUTWKJOI-UHFFFAOYSA-NInChI: InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
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外消旋托法替尼CAS号 : 1259404-17-5 Compound CID : 9926791分子式: C16H20N6O 分子量: 312.377IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-NInChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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2-(4-(2-(三氟甲基)苯甲酰基)哌嗪-1-基)噻唑-5-羧酰胺CAS号 : 916888-66-9 Compound CID : 11973722分子式: C16H15F3N4O2S 分子量: 384.38IUPAC Name: 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamideSMILES: C1CN(CCN1C2=NC=C(S2)C(=O)N)C(=O)C3=CC=CC=C3C(F)(F)FInChIKey: XCYAUDKMHBMJSP-UHFFFAOYSA-NInChI: InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)