General Information of the Compound
Compound ID
CP0492999
Compound Name
N-[4-(4-hydroxyphenoxy)phenyl]pyridine-4-carboxamide
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Structure
Formula
C18H14N2O3
Molecular Weight
306.321
Canonical SMILES
Oc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1
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InChI
InChI=1S/C18H14N2O3/c21-15-3-7-17(8-4-15)23-16-5-1-14(2-6-16)20-18(22)13-9-11-19-12-10-13/h1-12,21H,(H,20,22)
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InChIKey
JWCJBRDRXFYEME-UHFFFAOYSA-N
Physicochemical Property
logP
3.8318
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
71.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 72704890
ChEMBL ID
CHEMBL2441095
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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