General Information of the Compound
| Compound ID |
CP0428011
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]-3-propylurea
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| Structure |
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| Formula |
C32H31Cl2N7O
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| Molecular Weight |
600.554
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| Canonical SMILES |
CCCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C32H31Cl2N7O/c1-2-18-35-31(42)39-32(22-8-4-3-5-9-22)16-19-40(20-17-32)29-27-30(37-21-36-29)41(24-14-12-23(33)13-15-24)28(38-27)25-10-6-7-11-26(25)34/h3-15,21H,2,16-20H2,1H3,(H2,35,39,42)
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| InChIKey |
CVMCUOXJDFHVPX-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