General Information of the Compound
Compound ID
CP0430891
Compound Name
8-(4,4-dimethylpentan-2-yloxy)-N,N-dimethylquinolin-2-amine
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Structure
Formula
C18H26N2O
Molecular Weight
286.419
Canonical SMILES
CC(CC(C)(C)C)Oc1cccc2ccc(nc12)N(C)C
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InChI
InChI=1S/C18H26N2O/c1-13(12-18(2,3)4)21-15-9-7-8-14-10-11-16(20(5)6)19-17(14)15/h7-11,13H,12H2,1-6H3
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InChIKey
OSUREASDVPREQB-UHFFFAOYSA-N
Physicochemical Property
logP
4.5043
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 44394697
ChEMBL ID
CHEMBL184754
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000863 I3.4.2 Homo sapiens (Human)  1
1
IC50 > 2000 nM
   TI
   LI
   LO
   TS