General Information of the Compound
| Compound ID |
CP0391005
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| Compound Name |
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C28H21Cl2F2N7O
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| Molecular Weight |
580.426
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C28H21Cl2F2N7O/c29-17-5-8-19(9-6-17)39-25(20-3-1-2-4-21(20)30)36-24-26(33-16-34-27(24)39)37-11-13-38(14-12-37)28(40)35-18-7-10-22(31)23(32)15-18/h1-10,15-16H,11-14H2,(H,35,40)
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| InChIKey |
FVKIBFXKNQEKPT-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