General Information of the Compound
| Compound ID |
CP0411356
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| Compound Name |
2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
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| Structure |
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| Formula |
C16H15F2N3O2
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| Molecular Weight |
319.311
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| Canonical SMILES |
CC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1
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| InChI |
InChI=1S/C16H15F2N3O2/c1-9-6-13-12(14(22)7-9)8-19-16(21-13)20-10-2-4-11(5-3-10)23-15(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,19,20,21)
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| InChIKey |
PIISVQTXMLIEGV-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