General Information of the Compound
| Compound ID |
CP0484112
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-[(2-fluorophenyl)methyl]urea
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| Structure |
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| Formula |
C31H28Cl2FN7O
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| Molecular Weight |
604.517
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| Canonical SMILES |
CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NCc1ccccc1F
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| InChI |
InChI=1S/C31H28Cl2FN7O/c1-31(39-30(42)35-18-20-6-2-5-9-25(20)34)14-16-40(17-15-31)28-26-29(37-19-36-28)41(22-12-10-21(32)11-13-22)27(38-26)23-7-3-4-8-24(23)33/h2-13,19H,14-18H2,1H3,(H2,35,39,42)
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| InChIKey |
ZGYKJQHRZDWFGG-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