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小分子和化合物库
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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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GW842166X,cannabinoid receptor CB2受体激动剂CAS号 : 666260-75-9 Compound CID : 10253143分子式: C18H17Cl2F3N4O2 分子量: 449.25IUPAC Name: 2-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamideSMILES: C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)ClInChIKey: TWQYWUXBZHPIIV-UHFFFAOYSA-NInChI: InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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GP 1A,CB 2激动剂CAS号 : 511532-96-0 Compound CID : 10252734分子式: C23H22Cl2N4O 分子量: 441.35IUPAC Name: 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamideSMILES: CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5InChIKey: FNOMTMVRTBHRET-UHFFFAOYSA-NInChI: InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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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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JTE 907,CB2受体反向激动剂CAS号 : 282089-49-0 Compound CID : 9867770分子式: C24H26N2O6 分子量: 438.48IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamideSMILES: CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OCInChIKey: GRAJFFFXJYFVOC-UHFFFAOYSA-NInChI: InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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COR 170CAS号 : 1048039-15-1 Compound CID : 25033736分子式: C31H36N2O2 分子量: 468.63IUPAC Name: N-(1-adamantyl)-4-oxo-1-pentyl-6-phenylquinoline-3-carboxamideSMILES: CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5InChIKey: MSJISJDTJJYBFT-UHFFFAOYSA-NInChI: InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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AM1241CAS号 : 444912-48-5(DMSO)分子式: C22H22IN3O3 分子量: 503.33SMILES: CN1CCCCC1C[N]2C=C(C(=O)C3=CC(=CC=C3I)[N+]([O-])=O)C4=C2C=CC=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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GW842166XCAS号 : 666260-75-9(DMSO)分子式: C18H17Cl2F3N4O2 分子量: 449.25SMILES: FC(F)(F)C1=NC(=NC=C1C(=O)NCC2CCOCC2)NC3=CC=C(Cl)C=C3Cl
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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
