小分子
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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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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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氯普噻吨CAS号 : 113-59-7(DMSO)分子式: C18H18ClNS 分子量: 315.86SMILES: CN(C)CC/C=C1/C2=CC=CC=C2SC3=C1C=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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AM 095CAS号 : 1228690-36-5分子式: C27H24N2O5 分子量: 456.49IUPAC Name: 2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acidSMILES: CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)OInChIKey: LNDDRUPAICPXIN-GOSISDBHSA-NInChI: InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1
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BMS-986020CAS号 : 1257213-50-5分子式: C29H26N2O5 分子量: 482.53IUPAC Name: 1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acidSMILES: CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)OInChIKey: GQBRZBHEPUQRPL-LJQANCHMSA-NInChI: InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1
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卡麦角林CAS号 : 81409-90-7分子式: C26H37N5O2 分子量: 451.6IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideSMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=CInChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-NInChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
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Ki16425CAS号 : 355025-24-0分子式: C23H23ClN2O5S 分子量: 474.96IUPAC Name: 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acidSMILES: CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)OInChIKey: LLIFMNUXGDHTRO-UHFFFAOYSA-NInChI: InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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凯他色林CAS号 : 74050-98-9分子式: C22H22FN3O3 分子量: 395.43IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dioneSMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=OInChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-NInChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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ONO-7300243CAS号 : 638132-34-0分子式: C28H31NO5 分子量: 461.55IUPAC Name: 2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]acetic acidSMILES: CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)OCInChIKey: WGABOZPQOOZAOI-UHFFFAOYSA-NInChI: InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)