General Information of the Compound
| Compound ID |
CP0509049
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| Compound Name |
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C24H19BrN4O2
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| Molecular Weight |
475.346
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C24H19BrN4O2/c1-31-20-9-5-16(6-10-20)7-12-23(30)28-19-8-11-22-21(14-19)24(27-15-26-22)29-18-4-2-3-17(25)13-18/h2-15H,1H3,(H,28,30)(H,26,27,29)/b12-7+
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| InChIKey |
VQWBPRFGLQGDAV-KPKJPENVSA-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