General Information of the Compound
| Compound ID |
CP0413825
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]-3-ethylurea
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| Structure |
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| Formula |
C31H29Cl2N7O
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| Molecular Weight |
586.527
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| Canonical SMILES |
CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H29Cl2N7O/c1-2-34-30(41)38-31(21-8-4-3-5-9-21)16-18-39(19-17-31)28-26-29(36-20-35-28)40(23-14-12-22(32)13-15-23)27(37-26)24-10-6-7-11-25(24)33/h3-15,20H,2,16-19H2,1H3,(H2,34,38,41)
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| InChIKey |
JLVAHQKGPMYULG-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