小分子和化合物库
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西洛多辛CAS号 : 160970-54-7 Compound CID : 5312125分子式: C25H32F3N3O4 分子量: 495.53IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamideSMILES: NC(C1=CC(C[C@@H](C)NCCOC2=C(OCC(F)(F)F)C=CC=C2)=CC3=C1N(CCCO)CC3)=OInChIKey: PNCPYILNMDWPEY-QGZVFWFLSA-NInChI: InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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BMY 7378 二盐酸盐CAS号 : 21102-95-4 Compound CID : 210172分子式: C22H31N3O3·2HCl 分子量: 458.42IUPAC Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochlorideSMILES: COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.ClInChIKey: NIBOMXUDFLRHRV-UHFFFAOYSA-NInChI: InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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BMY 7378 dihydrochlorideCAS号 : 21102-95-4(DMSO)分子式: C22H31N3O3·2HCl 分子量: 458.42SMILES: Cl.Cl.COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O
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SilodosinCAS号 : 160970-54-7(DMSO)分子式: C25H32F3N3O4 分子量: 495.53SMILES: CC(CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC3=CC=CC=C3OCC(F)(F)F
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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萘哌地尔CAS号 : 57149-07-2(DMSO)分子式: C24H28N2O3 分子量: 392.49SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(O)COC3=C4C=CC=CC4=CC=C3
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