General Information of the Compound
Compound ID
CP0574779
Compound Name
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
    Show/Hide
Structure
Formula
C17H12ClN3O6S
Molecular Weight
421.818
Canonical SMILES
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
    Show/Hide
InChI
InChI=1S/C17H12ClN3O6S/c18-13-3-1-2-4-15(13)28(25,26)20-12-7-5-11(6-8-12)19-17(22)14-9-10-16(27-14)21(23)24/h1-10,20H,(H,19,22)
    Show/Hide
InChIKey
KFYCQSKVLBXKCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8943
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
131.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 166625763
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 = 530 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 = 1050 nM
   TI
   LI
   LO
   TS