General Information of the Compound
| Compound ID |
CP0012164
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| Compound Name |
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H14F2N2O2
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| Molecular Weight |
364.351
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| Canonical SMILES |
Fc1ccc(COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c(F)c1
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| InChI |
InChI=1S/C21H14F2N2O2/c22-15-8-5-14(18(23)11-15)12-27-16-9-6-13(7-10-16)20-24-19-4-2-1-3-17(19)21(26)25-20/h1-11H,12H2,(H,24,25,26)
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| InChIKey |
JHDBNFXRMWLNDK-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: PT02204, Cytochrome P450 1A1
Protein ID: PT02205, Cytochrome P450 1B1