General Information of the Compound
| Compound ID |
CP0543747
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| Compound Name |
3-(4-chlorophenyl)-4-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]phthalazine-1-carboxamide
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| Structure |
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| Formula |
C23H15ClF3N3O3
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| Molecular Weight |
473.838
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| Canonical SMILES |
FC(F)(F)Oc1cccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)c1
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| InChI |
InChI=1S/C23H15ClF3N3O3/c24-15-8-10-16(11-9-15)30-22(32)19-7-2-1-6-18(19)20(29-30)21(31)28-13-14-4-3-5-17(12-14)33-23(25,26)27/h1-12H,13H2,(H,28,31)
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| InChIKey |
XDTWSVCCHOKGRX-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