General Information of the Compound
| Compound ID |
CP0481653
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| Compound Name |
N-(3,4-diethoxyphenyl)-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C24H22N4O4
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| Molecular Weight |
430.464
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| Canonical SMILES |
CCOc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1OCC
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| InChI |
InChI=1S/C24H22N4O4/c1-3-31-21-13-12-17(15-22(21)32-4-2)25-24-19-10-5-6-11-20(19)26-23(27-24)16-8-7-9-18(14-16)28(29)30/h5-15H,3-4H2,1-2H3,(H,25,26,27)
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| InChIKey |
INWYQYHKPUZSNA-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