小分子和化合物库
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MG 624,α7nACh受体拮抗剂CAS号 : 77257-42-2 Compound CID : 6433339分子式: C22H30INO 分子量: 451.38IUPAC Name: triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium;iodideSMILES: CC[N+](CC)(CC)CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2.[I-]InChIKey: RDTKUZXIHMTSJO-UEIGIMKUSA-MInChI: InChI=1S/C22H30NO.HI/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20;/h7-17H,4-6,18-19H2,1-3H3;1H/q+1;/p-1/b13-12+;
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Desformylflustrabromine盐酸盐CAS号 : 951322-11-5 Compound CID : 56675778分子式: C16H21BrN2.HCl 分子量: 357.72IUPAC Name: 2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine;hydrochlorideSMILES: CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)Br)CCNC.ClInChIKey: GEZWEAPBLKXKGN-UHFFFAOYSA-NInChI: InChI=1S/C16H21BrN2.ClH/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15;/h5-7,10,18-19H,1,8-9H2,2-4H3;1H
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TQS,α7nAChRs的正变构调节剂CAS号 : 353483-92-8 Compound CID : 5038679分子式: C22H20N2O2S 分子量: 376.47IUPAC Name: 4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamideSMILES: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54InChIKey: SIZWDJIHABLBSP-UHFFFAOYSA-NInChI: InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
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PNU 282987,α7nAChR激动剂CAS号 : 711085-63-1 Compound CID : 9795278分子式: C14H17ClN2O 分子量: 264.75IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamideSMILES: C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)ClInChIKey: WECKJONDRAUFDD-ZDUSSCGKSA-NInChI: InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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CCMI,α7nAChRs的正变构调节剂CAS号 : 917837-54-8 Compound CID : 16005981分子式: C19H15Cl2N3O2 分子量: 388.25IUPAC Name: (Z)-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamideSMILES: CC1=NOC(=C1)C(=CNC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)ClInChIKey: VMAKIACTLSBBIY-BOPFTXTBSA-NInChI: InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11-
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B 973B,α7nAChRs的正变构调节剂CAS号 : 2244989-34-0 Compound CID : 137319851分子式: C24H26F2N6O 分子量: 452.5IUPAC Name: 3-(3,4-difluorophenyl)-N-[(1S)-1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]ethyl]propanamideSMILES: CC(C1=CN=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)NC(=O)CCC4=CC(=C(C=C4)F)FInChIKey: WQYZERNSONBUCW-KRWDZBQOSA-NInChI: InChI=1S/C24H26F2N6O/c1-17(29-24(33)8-6-18-5-7-19(25)20(26)14-18)21-15-27-16-23(30-21)32-12-10-31(11-13-32)22-4-2-3-9-28-22/h2-5,7,9,14-17H,6,8,10-13H2,1H3,(H,29,33)/t17-/m0/s1
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A 582941,α7nAChR部分激动剂CAS号 : 848591-90-2 Compound CID : 44190553分子式: C17H20N4 分子量: 280.37IUPAC Name: (3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrroleSMILES: CN1CC2CN(CC2C1)C3=NN=C(C=C3)C4=CC=CC=C4InChIKey: GTMRUYCIJSNXGB-GASCZTMLSA-NInChI: InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+
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PNU-120596CAS号 : 501925-31-1(DMSO)分子式: C13H14ClN3O4 分子量: 311.72SMILES: COC1=CC(=C(NC(=O)NC2=NOC(=C2)C)C=C1Cl)OC
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DUN71755CAS号 : 1394371-75-5 Compound CID : 60167958分子式: C20H18ClNO3S2 分子量: 419.95IUPAC Name: 4-[5-(4-chlorophenyl)-4-methyl-2-propanoylthiophen-3-yl]benzenesulfonamideSMILES: CCC(=O)C1=C(C(=C(S1)C2=CC=C(C=C2)Cl)C)C3=CC=C(C=C3)S(=O)(=O)NInChIKey: DYIIYIJHDMIABW-UHFFFAOYSA-NInChI: InChI=1S/C20H18ClNO3S2/c1-3-17(23)20-18(13-6-10-16(11-7-13)27(22,24)25)12(2)19(26-20)14-4-8-15(21)9-5-14/h4-11H,3H2,1-2H3,(H2,22,24,25)
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柚皮素查耳酮CAS号 : 73692-50-9 Compound CID : 5280960分子式: C15H12O5 分子量: 272.25IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)OInChIKey: YQHMWTPYORBCMF-ZZXKWVIFSA-NInChI: InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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柚配基查尔酮CAS号 : 73692-50-9 Compound CID : 5280960分子式: C15H12O5 分子量: 272.25IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)OInChIKey: YQHMWTPYORBCMF-ZZXKWVIFSA-NInChI: InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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