General Information of the Compound
| Compound ID |
CP0474427
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| Compound Name |
5-(4-chlorophenyl)-N-[7-[7-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]heptyl-methylamino]heptyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C49H53Cl6N7O2
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| Molecular Weight |
984.728
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| Canonical SMILES |
CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
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| InChIKey |
MVOOASXFNPWAHT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2