General Information of the Compound
Compound ID
CP0433567
Compound Name
2-(3-Fluoro-phenyl)-3-phenethyl-3H-quinazolin-4-one
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Structure
Formula
C22H17FN2O
Molecular Weight
344.389
Canonical SMILES
Fc1cccc(c1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
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InChI
InChI=1S/C22H17FN2O/c23-18-10-6-9-17(15-18)21-24-20-12-5-4-11-19(20)22(26)25(21)14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2
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InChIKey
IFUZDFZNLLYIGL-UHFFFAOYSA-N
Physicochemical Property
logP
4.4453
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
34.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44390155
ChEMBL ID
CHEMBL368055
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: PT01916, Extracellular calcium-sensing receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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