General Information of the Compound
Compound ID
CP0180622
Compound Name
2-[4-(4-amino-2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
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Structure
Formula
C15H13ClF3NO3S
Molecular Weight
379.787
Canonical SMILES
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1Cl)C(F)(F)F
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InChI
InChI=1S/C15H13ClF3NO3S/c1-14(21,15(17,18)19)9-2-5-11(6-3-9)24(22,23)13-7-4-10(20)8-12(13)16/h2-8,21H,20H2,1H3
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InChIKey
OJWIROYHNKUKES-UHFFFAOYSA-N
Physicochemical Property
logP
3.5248
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
80.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 52949904
ChEMBL ID
CHEMBL1289060
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)  1
1
IC50 > 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM