小分子和化合物库
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MJ 15,CB1拮抗剂CAS号: 944154-76-1分子式: C23H17Cl3N4O 分子量: 471.77IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamideSMILES: CC1=C(N(N=C1C(=O)NCC2=CN=CC=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)ClInChIKey: PJEIKJFNEFJFLA-UHFFFAOYSA-NInChI: 1S/C23H17Cl3N4O/c1-14-21(23(31)28-13-15-3-2-10-27-12-15)29-30(20-9-8-18(25)11-19(20)26)22(14)16-4-6-17(24)7-5-16/h2-12H,13H2,1H3,(H,28,31)
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Milameline盐酸盐CAS号: 139886-04-7分子式: C8H14N2O.HCl 分子量: 190.67IUPAC Name: (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;hydrochlorideSMILES: CN1CCC=C(C1)C=NOC.ClInChIKey: WEBMRZODPLSRKR-MLBSPLJJSA-NInChI: 1S/C8H14N2O.ClH/c1-10-5-3-4-8(7-10)6-9-11-2;/h4,6H,3,5,7H2,1-2H3;1H/b9-6+;
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盐酸甲磺麦角碱CAS号: 72786-12-0 Compound CID : 155746分子式: C₁₈H₂₆N₄O₂S•HCl 分子量: 398.95IUPAC Name: (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline;hydrochlorideSMILES: CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C.ClInChIKey: HANSYUJEPWNHIM-IVMONYBCSA-NInChI: 1S/C18H26N4O2S.ClH/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13;/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3;1H/t13-,15+,17+;/m0./s1
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Melperone hydrochloride,5-HT 2拮抗剂分子式: C16H23ClFNO 分子量: 299.81IUPAC Name: 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one;hydrochlorideSMILES: CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.ClInChIKey: MQHYXXIJLKFQGY-UHFFFAOYSA-NInChI: 1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
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MCOPPB三盐酸盐CAS号: 1108147-88-1 Compound CID : 25208093分子式: C₂₆H₄₀N₄.₃HCl 分子量: 534.05IUPAC Name: 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochlorideSMILES: CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5.Cl.Cl.ClInChIKey: DTIPEVOPCGEULQ-RFCADEKQSA-NInChI: 1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1
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M8 B盐酸盐CAS号: 883976-12-3分子式: C22H24N2O3S•HCl 分子量: 433IUPAC Name: N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide;hydrochlorideSMILES: COC1=C(C=CC(=C1)CN(CCN)C(=O)C2=CC=CS2)OCC3=CC=CC=C3.ClInChIKey: FMQJBHACRTZLME-UHFFFAOYSA-NInChI: 1S/C22H24N2O3S.ClH/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21;/h2-10,13-14H,11-12,15-16,23H2,1H3;1H
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LY 334370 盐酸盐CAS号: 199673-74-0 Compound CID : 19710026分子式: C21H22FN3O•HCl 分子量: 387.88IUPAC Name: 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide;hydrochlorideSMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F.ClInChIKey: DGPDGAPZTPSHBL-UHFFFAOYSA-NInChI: 1S/C21H22FN3O.ClH/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15;/h2-7,12-14,23H,8-11H2,1H3,(H,24,26);1H
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LY 266097 盐酸盐CAS号: 172895-39-5 Compound CID : 9953184分子式: C21H23ClN2O2•HCl 分子量: 407.33IUPAC Name: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochlorideSMILES: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.ClInChIKey: KPXKZZURYAXZQE-UHFFFAOYSA-NInChI: 1S/C21H23ClN2O2.ClH/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22;/h4-7,10,17,23-24H,8-9,11H2,1-3H3;1H
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L-733,060 盐酸盐CAS号: 148687-76-7 Compound CID : 11568371分子式: C20H20ClF6NO 分子量: 439.8IUPAC Name: (2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochlorideSMILES: C1CC(C(NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.ClInChIKey: DYEUTIUITGHIEO-JAXOOIEVSA-NInChI: 1S/C20H19F6NO.ClH/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14;/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2;1H/t17-,18-;/m1./s1
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LDN 193188,磷脂酰胆碱转移蛋白(PC-TP)抑制剂CAS号: 1267610-30-9分子式: C20H17Cl2N5O4S 分子量: 494.35IUPAC Name: 2,4-dichloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=C(C=C3)Cl)Cl)CInChIKey: COTBDKMEUUNJTI-UHFFFAOYSA-NInChI: 1S/C20H17Cl2N5O4S/c1-11-9-12(2)24-19(23-11)27-32(30,31)15-6-4-14(5-7-15)25-20(29)26-18(28)16-8-3-13(21)10-17(16)22/h3-10H,1-2H3,(H,23,24,27)(H2,25,26,28,29)
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L-AP5,NMDA拮抗剂CAS号: 79055-67-7分子式: C5H12NO5P 分子量: 197.13IUPAC Name: (2S)-2-amino-5-phosphonopentanoic acidSMILES: C(CC(C(=O)O)N)CP(=O)(O)OInChIKey: VOROEQBFPPIACJ-BYPYZUCNSA-NInChI: 1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
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