General Information of the Compound
| Compound ID |
CP0452396
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| Compound Name |
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-chlorophenyl)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 |
Clc1ccc(\C=C\C(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C23H16BrClN4O/c24-16-2-1-3-18(12-16)29-23-20-13-19(9-10-21(20)26-14-27-23)28-22(30)11-6-15-4-7-17(25)8-5-15/h1-14H,(H,28,30)(H,26,27,29)/b11-6+
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| InChIKey |
NYUBSZCKSGQPEM-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