General Information of the Compound
Compound ID
CP0367814
Compound Name
N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide
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Structure
Formula
C15H14N2O4
Molecular Weight
286.287
Canonical SMILES
CC(=O)Nc1ccc(NC(=O)c2ccc(o2)C(C)=O)cc1
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InChI
InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
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InChIKey
VLEXAUHLNJBZLL-UHFFFAOYSA-N
Physicochemical Property
logP
2.6929
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
88.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 155427942
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: 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 = 140 nM
   TI
   LI
   LO
   TS
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 = 480 nM
   TI
   LI
   LO
   TS