General Information of the Compound
Compound ID
CP0426341
Compound Name
8-chloro-7-isoquinolin-4-ylnaphthalen-2-ol
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Structure
Formula
C19H12ClNO
Molecular Weight
305.764
Canonical SMILES
Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
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InChI
InChI=1S/C19H12ClNO/c20-19-16(8-6-12-5-7-14(22)9-17(12)19)18-11-21-10-13-3-1-2-4-15(13)18/h1-11,22H
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InChIKey
CUWBTTOKHGCTNW-UHFFFAOYSA-N
Physicochemical Property
logP
5.414
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71818232
ChEMBL ID
CHEMBL2420688
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 = 238 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 = 66 nM
   TI
   LI
   LO
   TS