General Information of the Compound
| Compound ID |
CP0401262
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| Compound Name |
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
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| Structure |
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| Formula |
C20H12Cl2F3N3O
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| Molecular Weight |
438.236
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| Canonical SMILES |
FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
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| InChIKey |
OZKNIYDKUNRBKX-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