General Information of the Compound
Compound ID
CP0333166
Compound Name
5-(4-chlorophenyl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
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Structure
Formula
C22H19ClN2O2
Molecular Weight
378.859
Canonical SMILES
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)C1=CCNCC1
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InChI
InChI=1S/C22H19ClN2O2/c23-18-5-1-17(2-6-18)20-9-10-21(27-20)22(26)25-19-7-3-15(4-8-19)16-11-13-24-14-12-16/h1-11,24H,12-14H2,(H,25,26)
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InChIKey
CKDXGBVERZNORW-UHFFFAOYSA-N
Physicochemical Property
logP
5.229
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
54.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 70691711
ChEMBL ID
CHEMBL2017452
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: PT01231, MAP kinase-activated protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000229 SW1353 Homo sapiens (Human)  1
1
EC50 = 1300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2100 nM