General Information of the Compound
| Compound ID |
CP0136518
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| Compound Name |
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methyl-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C20H13Cl2F3N4O
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| Molecular Weight |
453.251
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| Canonical SMILES |
Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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| InChIKey |
IXMNBHPNQQLFMV-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