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米尔塔扎平CAS号: 85650-52-8分子式: C17H19N3 分子量: 265.35IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-NInChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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莫索尼啶CAS号: 75438-57-2 EC号: 629-833-3分子式: C9H12ClN5O 分子量: 241.68IUPAC Name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amineSMILES: CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OCInChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-NInChI: 1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
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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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利哌酮CAS号: 106266-06-2 Compound CID : 5073分子式: C23H27FN4O2 分子量: 410.48IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-NInChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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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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培高利特CAS号: 66104-22-1 Compound CID : 47811分子式: C19H26N2S 分子量: 314.49IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolineSMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSCInChIKey: YEHCICAEULNIGD-MZMPZRCHSA-NInChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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吡贝地尔分子式: C16H18N4O2 分子量: 298.35IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidineSMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-NInChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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TC-A 2317 盐酸盐CAS号: 1245907-03-2 Compound CID : 46911725分子式: C19H28N6O.HCl 分子量: 392.93IUPAC Name: 2-[(6-hydroxy-6-methylheptan-2-yl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile;hydrochlorideSMILES: CC1=CC(=NC(=C1C#N)NC(C)CCCC(C)(C)O)NC2=NNC(=C2)C.ClInChIKey: DXVATYHPJJPMIN-UHFFFAOYSA-NInChI: 1S/C19H28N6O.ClH/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26;/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25);1H
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AZ 13705339,PAK1和PAK2抑制剂CAS号: 2016806-57-6分子式: C33H36FN7O3S 分子量: 629.75IUPAC Name: 2-[[N-[2-[3-ethylsulfonyl-4-(4-methylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-(hydroxymethyl)-2-methylanilino]methyl]benzonitrileSMILES: CCS(=O)(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)N(CC3=CC=CC=C3C#N)C4=C(C=CC(=C4)CO)C)F)N5CCN(CC5)CInChIKey: WPFLVPJXKWCRQK-UHFFFAOYSA-NInChI: See more
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依巴斯汀CAS号: 90729-43-4分子式: C32H39NO2 分子量: 469.66IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-oneSMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-NInChI: 1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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