General Information of the Compound
| Compound ID |
CP0490281
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| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-naphthalen-1-ylprop-2-enamide
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| Structure |
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| Formula |
C27H19ClN4O
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| Molecular Weight |
450.929
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4cccc5ccccc45)cc23)c1
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| InChI |
InChI=1S/C27H19ClN4O/c28-20-8-4-9-21(15-20)32-27-24-16-22(12-13-25(24)29-17-30-27)31-26(33)14-11-19-7-3-6-18-5-1-2-10-23(18)19/h1-17H,(H,31,33)(H,29,30,32)/b14-11+
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| InChIKey |
NCMDSXDEOSWHRY-SDNWHVSQSA-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