General Information of the Compound
| Compound ID |
CP0485556
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C29H23Cl2F3N8O
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| Molecular Weight |
627.458
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
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| InChI |
InChI=1S/C29H23Cl2F3N8O/c30-17-5-8-20(9-6-17)42-25(21-3-1-2-4-22(21)31)40-24-26(36-16-37-27(24)42)41-13-11-18(12-14-41)38-28(43)39-19-7-10-23(35-15-19)29(32,33)34/h1-10,15-16,18H,11-14H2,(H2,38,39,43)
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| InChIKey |
XPKHEHJKHFSWNZ-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