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普卡必利CAS号 : 179474-81-8 Compound CID : 3052762分子式: C18H26ClN3O3 分子量: 367.87IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamideSMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)ClInChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-NInChI: InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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VUF 10166,5-HT3拮抗剂CAS号 : 155584-74-0 Compound CID : 24278976分子式: C13H15ClN4 分子量: 262.74IUPAC Name: 2-chloro-3-(4-methylpiperazin-1-yl)quinoxalineSMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2ClInChIKey: FFXVTQDGTKEXHF-UHFFFAOYSA-NInChI: InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
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贝美司琼CAS号 : 40796-97-2 Compound CID : 671690分子式: C15H17Cl2NO2 分子量: 314.21IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoateSMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)ClInChIKey: MNJNPLVXBISNSX-PBWFPOADSA-NInChI: InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?
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阿立哌唑CAS号 : 129722-12-9 Compound CID : 60795分子式: C23H27Cl2N3O2 分子量: 448.39IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClInChIKey: CEUORZQYGODEFX-UHFFFAOYSA-NInChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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奥氮平CAS号 : 132539-06-1 Compound CID : 135398745分子式: C17H20N4S 分子量: 312.43IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepineSMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CInChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-NInChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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恩丹西酮CAS号 : 99614-02-5 Compound CID : 4595分子式: C18H19N3O 分子量: 293.36IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-oneSMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3CInChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-NInChI: InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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银杏内酯BCAS号 : 15291-77-7 Compound CID : 65243分子式: C20H24O10 分子量: 424.4IUPAC Name: 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trioneSMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)OInChIKey: SQOJOAFXDQDRGF-UHFFFAOYSA-NInChI: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
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托烷司琼CAS号 : 89565-68-4 Compound CID : 656665分子式: C17H20N2O2 分子量: 284.35IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylateSMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-NInChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
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(Rac)-PF-06256142CAS号 : 1609580-97-3 Compound CID : 75201901分子式: C21H16N4O2 分子量: 356.38IUPAC Name: 4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridineSMILES: CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=CO3)C4=C(N=CC5=NC=CN54)CInChIKey: HWAIAGZSWHOLLK-UHFFFAOYSA-NInChI: InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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ML314CAS号 : 1448895-09-7 Compound CID : 53245590分子式: C24H28N4O3 分子量: 420.50IUPAC Name: 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolineSMILES: COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5InChIKey: SWEOAXMICIJCQC-UHFFFAOYSA-NInChI: InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
