General Information of the Compound
| Compound ID |
CP0489575
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C29H24Cl2FN7O
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| Molecular Weight |
576.463
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| Canonical SMILES |
Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C29H24Cl2FN7O/c30-18-5-11-22(12-6-18)39-26(23-3-1-2-4-24(23)31)37-25-27(33-17-34-28(25)39)38-15-13-21(14-16-38)36-29(40)35-20-9-7-19(32)8-10-20/h1-12,17,21H,13-16H2,(H2,35,36,40)
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| InChIKey |
HOCSTDLKZOQDMQ-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