General Information of the Compound
Compound ID
CP0156236
Compound Name
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-propylfuran-2-carboxamide
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Structure
Formula
C24H26ClN3O2
Molecular Weight
423.944
Canonical SMILES
CCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
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InChI
InChI=1S/C24H26ClN3O2/c1-2-15-28(21-9-7-20(8-10-21)27-16-13-26-14-17-27)24(29)23-12-11-22(30-23)18-3-5-19(25)6-4-18/h3-12,26H,2,13-17H2,1H3
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InChIKey
KASPOQKBLGLGBP-UHFFFAOYSA-N
Physicochemical Property
logP
5.0664
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
48.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 70691712
ChEMBL ID
CHEMBL2017460
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 = 3000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 650 nM