General Information of the Compound
| Compound ID |
CP0571590
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| Compound Name |
4-[[6-(prop-2-enoylamino)quinazolin-4-yl]amino]-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C23H18N6O2
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| Molecular Weight |
410.437
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| Canonical SMILES |
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
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| InChI |
InChI=1S/C23H18N6O2/c1-2-21(30)27-17-10-11-19-18(13-17)22(26-14-25-19)28-16-8-6-15(7-9-16)23(31)29-20-5-3-4-12-24-20/h2-14H,1H2,(H,27,30)(H,24,29,31)(H,25,26,28)
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| InChIKey |
JQOSYJIAJCUPLO-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