General Information of the Compound
| Compound ID |
CP0435465
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| Compound Name |
6,7-dimethoxy-N-(2-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C16H14N4O4
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| Molecular Weight |
326.312
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccccc3[N+]([O-])=O)c2cc1OC
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| InChI |
InChI=1S/C16H14N4O4/c1-23-14-7-10-12(8-15(14)24-2)17-9-18-16(10)19-11-5-3-4-6-13(11)20(21)22/h3-9H,1-2H3,(H,17,18,19)
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| InChIKey |
DBRZNTSHNHLAPY-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