General Information of the Compound
Compound ID |
CP0040802
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Compound Name |
8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
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Synonyms |
8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
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Structure |
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Formula |
C14H9N3O4
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Molecular Weight |
283.243
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Canonical SMILES |
Oc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
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InChI |
InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
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InChIKey |
FKPMZNSEGYFIDN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Protein ID: PT01646, Poly [ADP-ribose] polymerase 1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Clinical Information about the Compound