General Information of the Compound
Compound ID
CP0528092
Compound Name
N-(4-acetamidophenyl)-5-benzoylfuran-2-carboxamide
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Structure
Formula
C20H16N2O4
Molecular Weight
348.358
Canonical SMILES
CC(=O)Nc1ccc(NC(=O)c2ccc(o2)C(=O)c2ccccc2)cc1
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InChI
InChI=1S/C20H16N2O4/c1-13(23)21-15-7-9-16(10-8-15)22-20(25)18-12-11-17(26-18)19(24)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,23)(H,22,25)
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InChIKey
MUTATTUIKWFIMI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7213
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
88.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 166625286
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: PT03153, Urea transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 9850 nM
   TI
   LI
   LO
   TS
Protein ID: PT04648, Urea transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS