小分子和化合物库
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NKP608CAS号 : 177707-12-9 Compound CID : 9917079分子式: C31H24ClF6N3O2 分子量: 619.98IUPAC Name: N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamideSMILES: C1CN(C(CC1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)FInChIKey: NXLUTEDAEFXMQR-BJKOFHAPSA-NInChI: InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1
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GR 203040,NK1拮抗剂CAS号 : 168398-02-5 Compound CID : 127943分子式: C20H24N6O•2HCl 分子量: 437.37IUPAC Name: (2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochlorideSMILES: COC1=C(C=C(C=C1)N2C=NN=N2)CNC3CCCNC3C4=CC=CC=C4.Cl.ClInChIKey: UYDCUPIPQXAELR-OINVMNEBSA-NInChI: InChI=1S/C20H24N6O.2ClH/c1-27-19-10-9-17(26-14-23-24-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15;;/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3;2*1H/t18-,20-;;/m0../s1
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CP 122721 盐酸盐CAS号 : 145877-52-7 Compound CID : 90664465分子式: C20H23F3N2O2.2HCl 分子量: 453.33IUPAC Name: (2S,3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochlorideSMILES: COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCNC2C3=CC=CC=C3.Cl.ClInChIKey: AVTRGAPFNJEOTQ-FFUVTKDNSA-NInChI: InChI=1S/C20H23F3N2O2.2ClH/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1
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羟布宗分子式: C19H20N2O3 分子量: 324.37IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dioneSMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-NInChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
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吲哚美辛CAS号 : 53-86-1(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC=C2[N](C(=C(CC(O)=O)C2=C1)C)C(=O)C3=CC=C(Cl)C=C3
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苯基丁氮酮CAS号 : 50-33-9(DMSO)分子式: C19H20N2O2 分子量: 308.37SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
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