General Information of the Compound
| Compound ID |
CP0289160
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C17H12ClFN4O
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| Molecular Weight |
342.761
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl
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| InChI |
InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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| InChIKey |
UIAARIUTYORWEV-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