General Information of the Compound
Compound ID
CP0490271
Compound Name
N-(cyclopropylmethyl)-2-methyl-N-propyl-8-(2,4,6-trimethylphenyl)quinolin-4-amine
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Structure
Formula
C26H32N2
Molecular Weight
372.556
Canonical SMILES
CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C
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InChI
InChI=1S/C26H32N2/c1-6-12-28(16-21-10-11-21)24-15-20(5)27-26-22(24)8-7-9-23(26)25-18(3)13-17(2)14-19(25)4/h7-9,13-15,21H,6,10-12,16H2,1-5H3
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InChIKey
XISLMRFZWRPSLA-UHFFFAOYSA-N
Physicochemical Property
logP
6.76188
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44342074
ChEMBL ID
CHEMBL114596
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 = 2.2 nM
   TI
   LI
   LO
   TS