General Information of the Compound
| Compound ID |
CP0412505
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| Compound Name |
2-(2-methoxyphenyl)-N-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H16N4O3
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| Molecular Weight |
372.384
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| Canonical SMILES |
COc1ccccc1-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1
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| InChI |
InChI=1S/C21H16N4O3/c1-28-19-12-5-3-10-17(19)21-23-18-11-4-2-9-16(18)20(24-21)22-14-7-6-8-15(13-14)25(26)27/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
USEAKORJENDYDU-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