General Information of the Compound
| Compound ID |
CP0389672
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| Compound Name |
N-(3,4-dimethoxyphenyl)-6-nitro-2-phenylquinazolin-4-amine
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| Structure |
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| Formula |
C22H18N4O4
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| Molecular Weight |
402.41
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1OC
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| InChI |
InChI=1S/C22H18N4O4/c1-29-19-11-8-15(12-20(19)30-2)23-22-17-13-16(26(27)28)9-10-18(17)24-21(25-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,24,25)
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| InChIKey |
RHEXYQCYUCRENR-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