小分子和化合物库
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PNU 142633,5-HT1激动剂CAS号 : 187665-65-2 Compound CID : 9845148分子式: C24H30N4O3 分子量: 422.53IUPAC Name: (1S)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamideSMILES: CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)NInChIKey: PNTVCCRNJOGKGA-QFIPXVFZSA-NInChI: InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
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佐米曲坦CAS号 : 139264-17-8 Compound CID : 60857分子式: C16H21N3O2 分子量: 287.36IUPAC Name: (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-oneSMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3InChIKey: ULSDMUVEXKOYBU-ZDUSSCGKSA-NInChI: InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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佐替平CAS号 : 26615-21-4 Compound CID : 5736分子式: C18H18ClNOS 分子量: 331.86IUPAC Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamineSMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)ClInChIKey: HDOZVRUNCMBHFH-UHFFFAOYSA-NInChI: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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BGC 20-761,5-HT6拮抗剂CAS号 : 17375-63-2 Compound CID : 6918515分子式: C19H22N2O 分子量: 294.39IUPAC Name: 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamineSMILES: CN(C)CCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3InChIKey: VSGPGYWZVPDDSK-UHFFFAOYSA-NInChI: InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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