General Information of the Compound
| Compound ID |
CP0326484
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| Compound Name |
N-[4-(4-bromo-2-fluoroanilino)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C17H12BrFN4O
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| Molecular Weight |
387.212
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| Canonical SMILES |
Fc1cc(Br)ccc1Nc1ncnc2ccc(NC(=O)C=C)cc12
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| InChI |
InChI=1S/C17H12BrFN4O/c1-2-16(24)22-11-4-6-14-12(8-11)17(21-9-20-14)23-15-5-3-10(18)7-13(15)19/h2-9H,1H2,(H,22,24)(H,20,21,23)
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| InChIKey |
NEHHIXKPXNXLJR-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