General Information of the Compound
Compound ID
CP0265623
Compound Name
5-(Phenylsulfonyl)-2-(trifluoromethyl)-N-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}benzenesulfonamide
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Structure
Formula
C26H22F6N2O5S2
Molecular Weight
620.593
Canonical SMILES
FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C26H22F6N2O5S2/c27-25(28,29)18-8-6-17(7-9-18)24(35)34-14-12-19(13-15-34)33-41(38,39)23-16-21(10-11-22(23)26(30,31)32)40(36,37)20-4-2-1-3-5-20/h1-11,16,19,33H,12-15H2
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InChIKey
SDSTZLISEIZBEK-UHFFFAOYSA-N
Physicochemical Property
logP
5.1401
Rotatable Bonds
6
Heavy Atom Count
41
Polar Areas
100.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
41

"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: 46229336
ChEMBL ID
CHEMBL589326
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: PT03604, Secreted frizzled-related protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 970 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM