General Information of the Compound
| Compound ID |
CP0553719
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| Compound Name |
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[1-(trifluoromethyl)cyclopentyl]urea
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| Structure |
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| Formula |
C29H28Cl2F3N7O
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| Molecular Weight |
618.491
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| Canonical SMILES |
FC(F)(F)C1(CCCC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H28Cl2F3N7O/c30-18-7-9-20(10-8-18)41-24(21-5-1-2-6-22(21)31)38-23-25(35-17-36-26(23)41)40-15-11-19(12-16-40)37-27(42)39-28(29(32,33)34)13-3-4-14-28/h1-2,5-10,17,19H,3-4,11-16H2,(H2,37,39,42)
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| InChIKey |
FFDZWPUTQOBOTL-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