General Information of the Compound
Compound ID
CP0370312
Compound Name
5-cyano-N-(5-methoxy-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
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Structure
Formula
C18H19N3O3
Molecular Weight
325.368
Canonical SMILES
COc1ccc(N2CCCCC2)c(NC(=O)c2ccc(o2)C#N)c1
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InChI
InChI=1S/C18H19N3O3/c1-23-13-5-7-16(21-9-3-2-4-10-21)15(11-13)20-18(22)17-8-6-14(12-19)24-17/h5-8,11H,2-4,9-10H2,1H3,(H,20,22)
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InChIKey
FWFLUBJUGGENKO-UHFFFAOYSA-N
Physicochemical Property
logP
3.40248
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
78.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 44444590
ChEMBL ID
CHEMBL249748
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 = 960 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 90 nM