General Information of the Compound
| Compound ID |
CP0431862
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| Compound Name |
4-[(2,3,6-trichlorophenyl)methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C15H9Cl3N2O
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| Molecular Weight |
339.609
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| Canonical SMILES |
Clc1ccc(Cl)c(Cc2n[nH]c(=O)c3ccccc23)c1Cl
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| InChI |
InChI=1S/C15H9Cl3N2O/c16-11-5-6-12(17)14(18)10(11)7-13-8-3-1-2-4-9(8)15(21)20-19-13/h1-6H,7H2,(H,20,21)
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| InChIKey |
NPOQEKKLANXSEV-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