General Information of the Compound
Compound ID
CP0446449
Compound Name
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
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Structure
Formula
C23H22F3N3O4
Molecular Weight
461.44
Canonical SMILES
Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCOCC1
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InChI
InChI=1S/C23H22F3N3O4/c1-15-12-21(29-8-10-31-11-9-29)28-20-7-2-16(13-19(15)20)27-22(30)14-32-17-3-5-18(6-4-17)33-23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H,27,30)
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InChIKey
VTVKXJXECUDEMU-UHFFFAOYSA-N
Physicochemical Property
logP
4.29592
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
72.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 11496313
SID: 16598219
ChEMBL ID
CHEMBL198361
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  4
1
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 12 nM
   TI
   LI
   LO
   TS
3
IC50 = 50 nM
   TI
   LI
   LO
   TS
4
IC50 = 82 nM
   TI
   LI
   LO
   TS
Protein ID: PT02767, Melanin-concentrating hormone receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10 nM
   TI
   LI
   LO
   TS