General Information of the Compound
Compound ID
CP0528091
Compound Name
5-acetyl-N-[4-(benzenesulfonamido)phenyl]furan-2-carboxamide
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Structure
Formula
C19H16N2O5S
Molecular Weight
384.413
Canonical SMILES
CC(=O)c1ccc(o1)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C19H16N2O5S/c1-13(22)17-11-12-18(26-17)19(23)20-14-7-9-15(10-8-14)21-27(24,25)16-5-3-2-4-6-16/h2-12,21H,1H3,(H,20,23)
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InChIKey
VTRLNXNYCXIRPF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5353
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
105.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 166635963
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 = 150 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 = 160 nM
   TI
   LI
   LO
   TS