General Information of the Compound
Compound ID
CP0424503
Compound Name
N-(4-phenoxyphenyl)benzamide
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Structure
Formula
C19H15NO2
Molecular Weight
289.334
Canonical SMILES
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
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InChI
InChI=1S/C19H15NO2/c21-19(15-7-3-1-4-8-15)20-16-11-13-18(14-12-16)22-17-9-5-2-6-10-17/h1-14H,(H,20,21)
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InChIKey
JHKKWBHGUKVOET-UHFFFAOYSA-N
Physicochemical Property
logP
4.7312
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 744859
ChEMBL ID
CHEMBL2441096
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: PT01577, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000370 SC-3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 2800 nM
   TI
   LI
   LO
   TS