General Information of the Compound
| Compound ID |
CP0531039
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| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C23H16ClN5O3
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| Molecular Weight |
445.866
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H16ClN5O3/c24-16-5-3-6-17(12-16)28-23-19-13-18(9-10-20(19)25-14-26-23)27-22(30)11-8-15-4-1-2-7-21(15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b11-8+
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| InChIKey |
OGBITBQPCUFYIP-DHZHZOJOSA-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