General Information of the Compound
| Compound ID |
CP0742713
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| Compound Name |
N-(2-Methoxyethyl)-4-{[6-(3-methylpyridin-4-yl)quinazolin-2-yl]amino}benzamide
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| Structure |
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| Formula |
C24H23N5O2
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| Molecular Weight |
413.481
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| Canonical SMILES |
COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4C)ccc3n2)cc1
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| InChI |
InChI=1S/C24H23N5O2/c1-16-14-25-10-9-21(16)18-5-8-22-19(13-18)15-27-24(29-22)28-20-6-3-17(4-7-20)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
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| InChIKey |
DEKASXFNFSDXEI-UHFFFAOYSA-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