General Information of the Compound
Compound ID
CP0558938
Compound Name
N-[4-[benzyl-(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
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Structure
Formula
C27H24N2O4S
Molecular Weight
472.566
Canonical SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C27H24N2O4S/c1-21(30)28-23-12-18-27(19-13-23)34(31,32)29(20-22-8-4-2-5-9-22)24-14-16-26(17-15-24)33-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,28,30)
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InChIKey
KJGOCHFSDVFNDY-UHFFFAOYSA-N
Physicochemical Property
logP
5.8328
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 137651691
ChEMBL ID
CHEMBL4077728
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1970 nM
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