General Information of the Compound
Compound ID
CP0120458
Compound Name
6-(3-hydroxyphenyl)-1-(6-methoxypyridin-3-yl)naphthalen-2-ol
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Structure
Formula
C22H17NO3
Molecular Weight
343.382
Canonical SMILES
COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
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InChI
InChI=1S/C22H17NO3/c1-26-21-10-7-17(13-23-21)22-19-8-5-15(11-16(19)6-9-20(22)25)14-3-2-4-18(24)12-14/h2-13,24-25H,1H3
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InChIKey
LGNVIXULXLACQS-UHFFFAOYSA-N
Physicochemical Property
logP
4.9886
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
62.58
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: 25069763
SID: 56407998
ChEMBL ID
CHEMBL1650646
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 = 670 nM
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