General Information of the Compound
| Compound ID |
CP0226468
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| Compound Name |
8-Methyl-2-(4-trifluoromethyl-phenyl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C16H11F3N2O
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| Molecular Weight |
304.271
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| Canonical SMILES |
Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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| InChIKey |
GDPZGQDEZJRADO-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