General Information of the Compound
Compound ID
CP0162514
Compound Name
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
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Structure
Formula
C21H15NO2
Molecular Weight
313.356
Canonical SMILES
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1
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InChI
InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H
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InChIKey
AXMKFPDKHLZNID-UHFFFAOYSA-N
Physicochemical Property
logP
4.98
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
53.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 24970356
SID: 56268525
ChEMBL ID
CHEMBL1650645
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 165 nM
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