General Information of the Compound
Compound ID
CP0303510
Compound Name
N-[4-chloro-3-[propan-2-yl-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]phenyl]acetamide
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Structure
Formula
C20H22ClF3N2O4S
Molecular Weight
478.92
Canonical SMILES
CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl
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InChI
InChI=1S/C20H22ClF3N2O4S/c1-12(2)26(16-8-5-14(6-9-16)19(4,28)20(22,23)24)31(29,30)18-11-15(25-13(3)27)7-10-17(18)21/h5-12,28H,1-4H3,(H,25,27)
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InChIKey
ILDONSNQTLXRPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.6719
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
86.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 70690113
ChEMBL ID
CHEMBL2035417
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 498 nM
   TI
   LI
   LO
   TS
2
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 256 nM