General Information of the Compound
Compound ID
CP0523962
Compound Name
8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylquinolin-4-amine
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Structure
Formula
C23H26Cl2N2
Molecular Weight
401.381
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C23H26Cl2N2/c1-5-11-27(12-6-2)21-13-16(4)26-23-19(21)9-7-15(3)22(23)18-10-8-17(24)14-20(18)25/h7-10,13-14H,5-6,11-12H2,1-4H3
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InChIKey
GEVSQUIJCIWUSL-UHFFFAOYSA-N
Physicochemical Property
logP
7.45184
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 44341875
ChEMBL ID
CHEMBL432607
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 = 4.5 nM
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   LI
   LO
   TS