General Information of the Compound
Compound ID
CP0528090
Compound Name
N-[4-[(3-chlorophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
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Structure
Formula
C17H12ClN3O6S
Molecular Weight
421.818
Canonical SMILES
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
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InChI
InChI=1S/C17H12ClN3O6S/c18-11-2-1-3-14(10-11)28(25,26)20-13-6-4-12(5-7-13)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22)
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InChIKey
QYKZTRNPYFHNAG-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).

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PubChem ID
CID: 166626625
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 = 750 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 = 1010 nM
   TI
   LI
   LO
   TS