General Information of the Compound
| Compound ID |
CP0478809
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| Compound Name |
3-fluoro-5-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzonitrile
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| Structure |
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| Formula |
C15H11FN4O
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| Molecular Weight |
282.278
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| Canonical SMILES |
Fc1cc(Nc2ncc3C(=O)CCCc3n2)cc(c1)C#N
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| InChI |
InChI=1S/C15H11FN4O/c16-10-4-9(7-17)5-11(6-10)19-15-18-8-12-13(20-15)2-1-3-14(12)21/h4-6,8H,1-3H2,(H,18,19,20)
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| InChIKey |
AYYDRSULPHUZRF-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