化学生物学
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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: InChI=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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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: InChI=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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伯氨喹分子式: C15H21N3O 分子量: 259.4IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamineSMILES: CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2InChIKey: INDBQLZJXZLFIT-UHFFFAOYSA-NInChI: InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
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N-(2-氟苯基)肉桂酰胺CAS号 : 25893-50-9 Compound CID : 875024分子式: C15H12FNO 分子量: 241.26IUPAC Name: (E)-N-(2-fluorophenyl)-3-phenylprop-2-enamideSMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2FInChIKey: GFAVMCPSQILRPK-ZHACJKMWSA-NInChI: InChI=1S/C15H12FNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
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N,3-二(苯基)丙-2-烯酰胺分子式: C15H13NO 分子量: 223.277IUPAC Name: (E)-N,3-diphenylprop-2-enamideSMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2InChIKey: FIIZQHKGJMRJIL-VAWYXSNFSA-NInChI: InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+
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1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷CAS号 : 66504-40-3 Compound CID : 9795276分子式: C11H11Cl2N 分子量: 228.12IUPAC Name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexaneSMILES: C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)ClInChIKey: BSMNRYCSBFHEMQ-UHFFFAOYSA-NInChI: InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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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