General Information of the Compound
| Compound ID |
CP0487976
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| Compound Name |
1-butyl-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]urea
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| Structure |
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| Formula |
C33H33Cl2N7O
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| Molecular Weight |
614.581
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| Canonical SMILES |
CCCCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H33Cl2N7O/c1-2-3-19-36-32(43)40-33(23-9-5-4-6-10-23)17-20-41(21-18-33)30-28-31(38-22-37-30)42(25-15-13-24(34)14-16-25)29(39-28)26-11-7-8-12-27(26)35/h4-16,22H,2-3,17-21H2,1H3,(H2,36,40,43)
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| InChIKey |
CHIFDHZBNSYDBJ-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