小分子和化合物库
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N-去甲基氯氮平分子式: C17H17ClN4 分子量: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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茶苯海明分子式: C17H21NO · C7H7ClN4O2 分子量: 469.96IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dioneSMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
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SKF38393 盐酸盐CAS号 : 62717-42-4 Compound CID : 147514分子式: C16H17NO2.HCl 分子量: 291.78IUPAC Name: 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochlorideSMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.ClInChIKey: YEWHJCLOUYPAOH-UHFFFAOYSA-NInChI: InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H
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(R)-(+)-SKF38393盐酸盐CAS号 : 81702-42-3 Compound CID : 6852375分子式: C16H17NO2.HCl 分子量: 291.78IUPAC Name: (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochlorideSMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.ClInChIKey: YEWHJCLOUYPAOH-PFEQFJNWSA-NInChI: InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m1./s1
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L-莨菪碱分子式: C17H23NO3 分子量: 289.37IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoateSMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3InChIKey: RKUNBYITZUJHSG-VFSICIBPSA-NInChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
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SKF 82958 氢溴酸盐CAS号 : 74115-01-8 Compound CID : 9909521分子式: C19H20ClNO2.HBr 分子量: 410.73IUPAC Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromideSMILES: C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.BrInChIKey: WLXGFAVTAAQOFH-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H
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SKF 81297 氢溴酸盐CAS号 : 67287-39-2 Compound CID : 11957706分子式: C16H16ClNO2•HBr 分子量: 370.67IUPAC Name: 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromideSMILES: C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.BrInChIKey: RMIJGBMRNYUZRG-UHFFFAOYSA-NInChI: InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H
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LE 300,D1拮抗剂CAS号 : 274694-98-3 Compound CID : 4350931分子式: C20H22N2 分子量: 290.41IUPAC Name: 11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaeneSMILES: CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3InChIKey: YEWGIGCYIAMFMA-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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D,L-三苯甲基盐酸盐CAS号 : 58947-95-8 Compound CID : 66007分子式: C20H32ClNO 分子量: 337.93IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochlorideSMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.ClInChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-NInChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
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