General Information of the Compound
Compound ID
CP0510311
Compound Name
8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinolin-4-amine
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Structure
Formula
C22H24Cl2N2
Molecular Weight
387.354
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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InChIKey
SUYDJIHTAHBJRR-UHFFFAOYSA-N
Physicochemical Property
logP
7.14342
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 9821586
SID: 14780514
ChEMBL ID
CHEMBL432800
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 = 0.9 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 0.9 nM
   TI
   LI
   LO
   TS