General Information of the Compound
| Compound ID |
CP0442487
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| Compound Name |
3-(2-chlorophenyl)-2-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C19H11Cl2F3N4O
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| Molecular Weight |
439.224
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| Canonical SMILES |
FC(F)(F)Cn1cnc2c(-c3ccccc3Cl)n(nc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H11Cl2F3N4O/c20-11-5-7-12(8-6-11)28-17(13-3-1-2-4-14(13)21)15-16(26-28)18(29)27(10-25-15)9-19(22,23)24/h1-8,10H,9H2
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| InChIKey |
TZMLQWOKHPFVET-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