General Information of the Compound
Compound ID
CP0452697
Compound Name
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
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Structure
Formula
C15H16N2O5S2
Molecular Weight
368.436
Canonical SMILES
CS(=O)(=O)Nc1cccc(c1)C(=O)c1cccc(NS(C)(=O)=O)c1
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InChI
InChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3
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InChIKey
AWTJGFNHPQVQCX-UHFFFAOYSA-N
Physicochemical Property
logP
1.6606
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
109.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 127038503
ChEMBL ID
CHEMBL3739701
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000922 MDCK-UT-A1-AQP1-YFP Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
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