General Information of the Compound
| Compound ID |
CP0007229
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| Compound Name |
2-(4-nitrophenyl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C14H9N3O3
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| Molecular Weight |
267.244
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
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| InChI |
InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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| InChIKey |
PDSXUXCWTDUVSZ-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