General Information of the Compound
Compound ID
CP0133767
Compound Name
2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
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Structure
Formula
C15H11FN2O2
Molecular Weight
270.263
Canonical SMILES
COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
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InChI
InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
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InChIKey
GKHVECTULDXARR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7378
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
54.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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).

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PubChem ID
CID: 135443732
SID: 16145871
ChEMBL ID
CHEMBL3827770
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 459 nM
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