General Information of the Compound
Compound ID
CP0526888
Compound Name
7-fluoro-N-(1-((1-methyl-2-oxo-1,2-dihydroquinolin-7-yl)methyl)piperidin-4-yl)-4-oxo-4H-chromene-2-carboxamide
    Show/Hide
Structure
Formula
C26H24FN3O4
Molecular Weight
461.493
Canonical SMILES
Cn1c2cc(CN3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)ccc2ccc1=O
    Show/Hide
InChI
InChI=1S/C26H24FN3O4/c1-29-21-12-16(2-3-17(21)4-7-25(29)32)15-30-10-8-19(9-11-30)28-26(33)24-14-22(31)20-6-5-18(27)13-23(20)34-24/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,33)
    Show/Hide
InChIKey
ZWAQGKCYZQHRHG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1784
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
84.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
34

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11554412
SID: 16656642
ChEMBL ID
CHEMBL266725
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 = 3 nM
   TI
   LI
   LO
   TS