General Information of the Compound
Compound ID
CP0447220
Compound Name
8-(2,4-Dichloro-phenyl)-2-methyl-quinolin-4-ol
    Show/Hide
Structure
Formula
C16H11Cl2NO
Molecular Weight
304.176
Canonical SMILES
Cc1cc(O)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
    Show/Hide
InChI
InChI=1S/C16H11Cl2NO/c1-9-7-15(20)13-4-2-3-12(16(13)19-9)11-6-5-10(17)8-14(11)18/h2-8H,1H3,(H,19,20)
    Show/Hide
InChIKey
VYPXHRUYISNLQD-UHFFFAOYSA-N
Physicochemical Property
logP
5.22262
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11120236
SID: 16195199
ChEMBL ID
CHEMBL115287
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS