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利莫那班CAS号 : 168273-06-1 Compound CID : 104850分子式: C22H21Cl3N4O 分子量: 463.79IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamideSMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)ClInChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-NInChI: InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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TC-C 14G,和CB1反向激动剂CAS号 : 656804-72-7 Compound CID : 22475020分子式: C24H17Cl2F2NO4 分子量: 492.3IUPAC Name: [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanoneSMILES: C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)ClInChIKey: VUCKSZWMRCSPME-UHFFFAOYSA-NInChI: InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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(±)-SLV 319,CB1拮抗剂CAS号 : 362519-49-1 Compound CID : 11179267分子式: C23H20Cl2N4O2S 分子量: 487.4IUPAC Name: 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamideSMILES: CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4InChIKey: AXJQVVLKUYCICH-UHFFFAOYSA-NInChI: InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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PSNCBAM-1,CB1受体的负变构调节剂CAS号 : 877202-74-9 Compound CID : 11560249分子式: C22H21ClN4O 分子量: 392.88IUPAC Name: 1-(4-chlorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]ureaSMILES: C1CCN(C1)C2=CC=CC(=N2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)ClInChIKey: HDAYFSFWIPRJSO-UHFFFAOYSA-NInChI: InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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NESS 0327,CB1拮抗剂CAS号 : 494844-07-4 Compound CID : 10435654分子式: C24H23Cl3N4O 分子量: 489.82IUPAC Name: 12-chloro-3-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamideSMILES: C1CCN(CC1)NC(=O)C2=NN(C3=C2CCCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)ClInChIKey: NCXBPZJQQSNIRA-UHFFFAOYSA-NInChI: InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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AM251CAS号 : 183232-66-8(DMSO)分子式: C22H21Cl2IN4O 分子量: 555.24SMILES: CC1=C([N](N=C1C(=O)NN2CCCCC2)C3=CC=C(Cl)C=C3Cl)C4=CC=C(I)C=C4
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BMS202（PD-1 / PD-L1抑制剂2）CAS号 : 1675203-84-5(DMSO)分子式: C25H29N3O3 分子量: 419.52SMILES: COC1=C(CNCCNC(C)=O)C=CC(=N1)OCC2=C(C)C(=CC=C2)C3=CC=CC=C3
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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
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Rimonabant (SR141716)CAS号 : 168273-06-1(DMSO)分子式: C22H21Cl3N4O 分子量: 463.79SMILES: CC1=C([N](N=C1C(=O)NN2CCCCC2)C3=CC=C(Cl)C=C3Cl)C4=CC=C(Cl)C=C4
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和厚朴酚CAS号 : 35354-74-6(DMSO)分子式: C18H18O2 分子量: 266.334SMILES: OC1=C(CC=C)C=C(C=C1)C2=CC(=CC=C2O)CC=C
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Bay 59-3074CAS号 : 406205-74-1 Compound CID : 10479060分子式: C18H13F6NO4S 分子量: 453.35IUPAC Name: [3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonateSMILES: C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)FInChIKey: LWUSZIVDPJPVBW-UHFFFAOYSA-NInChI: InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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（R）-（+）WIN 55,212-2甲磺酸盐CAS号 : 131543-23-2(DMSO) Compound CID : 6604176分子式: C27H26N2O3•CH4O3S 分子量: 522.62IUPAC Name: methanesulfonic acid;[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanoneSMILES: CC1=C(C2=C3N1C(COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65.CS(=O)(=O)OInChIKey: FSGCSTPOPBJYSX-VEIFNGETSA-NInChI: InChI=1S/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
