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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卡维地洛CAS号 : 72956-09-3 Compound CID : 2585分子式: C24H26N2O4 分子量: 406.47IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-olSMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OInChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-NInChI: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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丁吡卡因分子式: C18H28N2O 分子量: 288.44IUPAC Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamideSMILES: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)CInChIKey: LEBVLXFERQHONN-UHFFFAOYSA-NInChI: InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
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TC-N 1752, Nav 通道阻滞剂CAS号 : 1211866-85-1 Compound CID : 53361524分子式: C25H27F3N6O3 分子量: 516.52IUPAC Name: N-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamideSMILES: CC1=C(C=CC=C1NC(=O)C)NC2=NC(=NC=N2)N3CCC(CC3)OCC4=CC=C(C=C4)OC(F)(F)FInChIKey: QLKAFHZJICDACE-UHFFFAOYSA-NInChI: InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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ICA 121431,NaV1.3和NaV1.1通道阻滞剂CAS号 : 313254-51-2 Compound CID : 998021分子式: C23H19N3O3S2 分子量: 449.55IUPAC Name: 2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamideSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4InChIKey: URSQNPPONHUJDL-UHFFFAOYSA-NInChI: InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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GX 201, Nav1.7阻断剂CAS号 : 1788071-27-1 Compound CID : 118120545分子式: C25H27ClF4N2O4S 分子量: 563IUPAC Name: 4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamideSMILES: CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=C(C=CC(=C4)C(F)(F)F)Cl)FInChIKey: KYBPOTYVFWNSGS-UHFFFAOYSA-NInChI: InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33)
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N-去甲基洛哌丁胺CAS号 : 66164-07-6 Compound CID : 9805944分子式: C28H31ClN2O2 分子量: 463.01IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamideSMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-NInChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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A-803467CAS号 : 944261-79-4(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3)OC
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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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DexmedetomidineCAS号 : 113775-47-6(DMSO)分子式: C13H16N2 分子量: 200.28SMILES: CC(C1=CN=C[NH]1)C2=CC=CC(=C2C)C
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