General Information of the Compound
Compound ID
CP0411320
Compound Name
8-chloro-7-(5-methoxypyridin-3-yl)naphthalen-2-ol
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Structure
Formula
C16H12ClNO2
Molecular Weight
285.73
Canonical SMILES
COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
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InChI
InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3
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InChIKey
MOMSGXYFDHLLKW-UHFFFAOYSA-N
Physicochemical Property
logP
4.2694
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 71818091
ChEMBL ID
CHEMBL2420682
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 245 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15 nM
   TI
   LI
   LO
   TS