General Information of the Compound
Compound ID
CP0111164
Compound Name
5-(4-methoxyphenyl)-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
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Structure
Formula
C22H23N3O3
Molecular Weight
377.444
Canonical SMILES
COc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
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InChI
InChI=1S/C22H23N3O3/c1-27-19-8-2-16(3-9-19)20-10-11-21(28-20)22(26)24-17-4-6-18(7-5-17)25-14-12-23-13-15-25/h2-11,23H,12-15H2,1H3,(H,24,26)
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InChIKey
DYJGGYMCCGHJMT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6171
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
66.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 70689580
ChEMBL ID
CHEMBL2017447
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 = 8000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22000 nM