General Information of the Compound
| Compound ID |
CP0540524
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-cyclopentylurea
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| Structure |
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| Formula |
C28H29Cl2N7O
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| Molecular Weight |
550.494
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38)
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| InChIKey |
LAZZAAKRRFJCNI-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