General Information of the Compound
| Compound ID |
CP0484132
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| Compound Name |
3-[[2-(3-cyanoanilino)-6,7-dimethoxyquinazolin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C24H18N6O2
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| Molecular Weight |
422.448
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| Canonical SMILES |
COc1cc2nc(Nc3cccc(c3)C#N)nc(Nc3cccc(c3)C#N)c2cc1OC
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| InChI |
InChI=1S/C24H18N6O2/c1-31-21-11-19-20(12-22(21)32-2)29-24(28-18-8-4-6-16(10-18)14-26)30-23(19)27-17-7-3-5-15(9-17)13-25/h3-12H,1-2H3,(H2,27,28,29,30)
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| InChIKey |
ROLMZAHZCPGZSJ-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