General Information of the Compound
Compound ID
CP0339220
Compound Name
N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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Structure
Formula
C25H27F3N4O4
Molecular Weight
504.509
Canonical SMILES
Cc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
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InChI
InChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33)
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InChIKey
VSCMFXUBMBBKGL-UHFFFAOYSA-N
Physicochemical Property
logP
4.20342
Rotatable Bonds
9
Heavy Atom Count
36
Polar Areas
84.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 11627530
SID: 16730542
ChEMBL ID
CHEMBL204952
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 16 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.6 nM