General Information of the Compound
| Compound ID |
CP0379985
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| Compound Name |
8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C15H9F3N2O2
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| Molecular Weight |
306.243
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| Canonical SMILES |
Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
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| InChIKey |
ZZCRCAHSCCNAPB-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