General Information of the Compound
Compound ID
CP0340908
Compound Name
3-(2-cyanofuran-5-carboxamido)-4-(piperidin-1-yl)benzoic acid
    Show/Hide
Structure
Formula
C18H17N3O4
Molecular Weight
339.351
Canonical SMILES
OC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(o2)C#N)c1
    Show/Hide
InChI
InChI=1S/C18H17N3O4/c19-11-13-5-7-16(25-13)17(22)20-14-10-12(18(23)24)4-6-15(14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,20,22)(H,23,24)
    Show/Hide
InChIKey
WMOKHNFMRKSIOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.09208
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
106.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44444593
ChEMBL ID
CHEMBL249956
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: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 2000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 2000 nM