General Information of the Compound
| Compound ID |
CP0443808
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| Compound Name |
N-[4-(2-fluoro-3-methylanilino)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C18H15FN4O
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| Molecular Weight |
322.343
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1F
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| InChI |
InChI=1S/C18H15FN4O/c1-3-16(24)22-12-7-8-14-13(9-12)18(21-10-20-14)23-15-6-4-5-11(2)17(15)19/h3-10H,1H2,2H3,(H,22,24)(H,20,21,23)
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| InChIKey |
ITQFZYHSSUVBRB-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