General Information of the Compound
Compound ID
CP0438256
Compound Name
2-hydroxy-N-[4-(4-hydroxyphenoxy)phenyl]benzamide
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Structure
Formula
C19H15NO4
Molecular Weight
321.332
Canonical SMILES
Oc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1
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InChI
InChI=1S/C19H15NO4/c21-14-7-11-16(12-8-14)24-15-9-5-13(6-10-15)20-19(23)17-3-1-2-4-18(17)22/h1-12,21-22H,(H,20,23)
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InChIKey
RBEMVAFKFYHQIB-UHFFFAOYSA-N
Physicochemical Property
logP
4.1424
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
78.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 72704515
ChEMBL ID
CHEMBL2441105
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 = 8800 nM
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