General Information of the Compound
Compound ID
CP0554496
Compound Name
N-[4-(4-hydroxyphenoxy)phenyl]-4-methoxybenzamide
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Structure
Formula
C20H17NO4
Molecular Weight
335.359
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
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InChI
InChI=1S/C20H17NO4/c1-24-17-8-2-14(3-9-17)20(23)21-15-4-10-18(11-5-15)25-19-12-6-16(22)7-13-19/h2-13,22H,1H3,(H,21,23)
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InChIKey
HSPORYRJEMPOBZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4454
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 72704513
ChEMBL ID
CHEMBL2441108
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
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