General Information of the Compound
Compound ID
CP0478781
Compound Name
3-(dimethylamino)-N-[4-(4-hydroxyphenoxy)phenyl]benzamide
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Structure
Formula
C21H20N2O3
Molecular Weight
348.402
Canonical SMILES
CN(C)c1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
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InChI
InChI=1S/C21H20N2O3/c1-23(2)17-5-3-4-15(14-17)21(25)22-16-6-10-19(11-7-16)26-20-12-8-18(24)9-13-20/h3-14,24H,1-2H3,(H,22,25)
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InChIKey
NCFFXDMBPHEEMR-UHFFFAOYSA-N
Physicochemical Property
logP
4.5028
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 72704695
ChEMBL ID
CHEMBL2441100
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 = 3000 nM
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