General Information of the Compound
Compound ID
CP0499937
Compound Name
7-fluoro-4-oxo-N-(1-((2-oxobenzo[d][1,3]dioxol-5-yl)methyl)piperidin-4-yl)-4H-chromene-2-carboxamide
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Structure
Formula
C23H19FN2O6
Molecular Weight
438.411
Canonical SMILES
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3oc(=O)oc3c2)CC1
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InChI
InChI=1S/C23H19FN2O6/c24-14-2-3-16-17(27)11-21(30-19(16)10-14)22(28)25-15-5-7-26(8-6-15)12-13-1-4-18-20(9-13)32-23(29)31-18/h1-4,9-11,15H,5-8,12H2,(H,25,28)
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InChIKey
GJAJZGZHVMOVON-UHFFFAOYSA-N
Physicochemical Property
logP
3.0259
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
105.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 44417936
ChEMBL ID
CHEMBL216323
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 = 2010 nM
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