General Information of the Compound
| Compound ID |
CP0133133
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| Compound Name |
2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C15H13F3N2O
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| Molecular Weight |
294.276
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1nc2CCCCc2c(=O)[nH]1
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| InChI |
InChI=1S/C15H13F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h5-8H,1-4H2,(H,19,20,21)
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| InChIKey |
RLEBLHKNUCJVNF-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