General Information of the Compound
Compound ID
CP0558936
Compound Name
N-benzyl-N-(4-phenoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
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Structure
Formula
C26H20F3NO4S
Molecular Weight
499.51
Canonical SMILES
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C26H20F3NO4S/c27-26(28,29)34-24-15-17-25(18-16-24)35(31,32)30(19-20-7-3-1-4-8-20)21-11-13-23(14-12-21)33-22-9-5-2-6-10-22/h1-18H,19H2
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InChIKey
FYMJMWDRYUGTRN-UHFFFAOYSA-N
Physicochemical Property
logP
6.773
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 137650072
ChEMBL ID
CHEMBL4078581
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 = 7480 nM
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