General Information of the Compound
| Compound ID |
CP0187970
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| Compound Name |
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
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| Synonyms |
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C15H11N3O4
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| Molecular Weight |
297.27
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| Canonical SMILES |
COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H11N3O4/c1-22-12-4-2-3-11-13(12)16-14(17-15(11)19)9-5-7-10(8-6-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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| InChIKey |
PGAMJHQYVDYIQX-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
Protein ID: PT01646, Poly [ADP-ribose] polymerase 1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Clinical Information about the Compound