General Information of the Compound
Compound ID
CP0534861
Compound Name
N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2-methyl-N-propylquinolin-4-amine
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Structure
Formula
C23H24Cl2N2
Molecular Weight
399.365
Canonical SMILES
CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C23H24Cl2N2/c1-3-11-27(14-16-7-8-16)22-12-15(2)26-23-19(5-4-6-20(22)23)18-10-9-17(24)13-21(18)25/h4-6,9-10,12-13,16H,3,7-8,11,14H2,1-2H3
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InChIKey
MQDZGMUVTAHEBS-UHFFFAOYSA-N
Physicochemical Property
logP
7.14342
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: 9908879
SID: 14879043
ChEMBL ID
CHEMBL115389
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 = 0.5 nM
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   LI
   LO
   TS