General Information of the Compound
Compound ID
CP0498579
Compound Name
5-(1-chloro-7-hydroxynaphthalen-2-yl)pyridin-3-ol
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Structure
Formula
C15H10ClNO2
Molecular Weight
271.703
Canonical SMILES
Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
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InChI
InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H
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InChIKey
CFXIOEDBHCGEDY-UHFFFAOYSA-N
Physicochemical Property
logP
3.9664
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
53.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 71818093
ChEMBL ID
CHEMBL2420684
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 = 2824 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 = 27 nM
   TI
   LI
   LO
   TS