General Information of the Compound
| Compound ID |
CP0532333
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| Compound Name |
(E)-3-(4-bromophenyl)-N-[4-(3-chloroanilino)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H16BrClN4O
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| Molecular Weight |
479.765
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4ccc(Br)cc4)cc23)c1
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| InChI |
InChI=1S/C23H16BrClN4O/c24-16-7-4-15(5-8-16)6-11-22(30)28-19-9-10-21-20(13-19)23(27-14-26-21)29-18-3-1-2-17(25)12-18/h1-14H,(H,28,30)(H,26,27,29)/b11-6+
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| InChIKey |
MVMLCLYEVJGFBY-IZZDOVSWSA-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