小分子
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SB742457CAS号 : 607742-69-8(DMSO)分子式: C19H19N3O2S 分子量: 353.44SMILES: O=[S](=O)(C1=CC=CC=C1)C2=CC3=C(N=C2)C(=CC=C3)N4CCNCC4
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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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多潘立酮CAS号 : 57808-66-9(DMSO)分子式: C22H24ClN5O2 分子量: 425.91SMILES: ClC1=CC2=C(C=C1)N(C3CCN(CCCN4C(=O)NC5=C4C=CC=C5)CC3)C(=O)N2
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氟哌啶醇CAS号 : 52-86-8(DMSO)分子式: C21H23ClFNO2 分子量: 375.86SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C3=CC=C(Cl)C=C3
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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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米尔塔扎平CAS号 : 85650-52-8(DMSO)分子式: C17H19N3 分子量: 265.35SMILES: CN1CCN2C(C1)C3=C(CC4=C2N=CC=C4)C=CC=C3
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脱羧氯雷他定CAS号 : 100643-71-8(DMSO)分子式: C19H19ClN2 分子量: 310.82SMILES: ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4
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阿莫沙平CAS号 : 14028-44-5分子式: C17H16ClN3O 分子量: 313.78IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepineSMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)ClInChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-NInChI: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
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AzaperoneCAS号 : 1649-18-9分子式: C19H22FN3O 分子量: 327.4IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-oneSMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-NInChI: InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
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阿司咪唑CAS号 : 68844-77-9分子式: C28H31FN4O 分子量: 458.57IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amineSMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)FInChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-NInChI: InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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AZD1981CAS号 : 802904-66-1分子式: C19H17ClN2O3S 分子量: 388.87IUPAC Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acidSMILES: CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)ClInChIKey: JWYIGNODXSRKGP-UHFFFAOYSA-NInChI: InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
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BI-671800CAS号 : 1093108-50-9分子式: C25H26F3N5O3 分子量: 501.5IUPAC Name: 2-[4,6-bis(dimethylamino)-2-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acidSMILES: CN(C)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)N(C)C)CC(=O)OInChIKey: XEOSTBFUCNZKGS-UHFFFAOYSA-NInChI: InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)