General Information of the Compound
Compound ID
CP0382433
Compound Name
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
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Structure
Formula
C17H17F6NO3S2
Molecular Weight
461.449
Canonical SMILES
CC(C)CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccs1
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InChI
InChI=1S/C17H17F6NO3S2/c1-11(2)10-24(29(26,27)14-4-3-9-28-14)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-9,11,25H,10H2,1-2H3
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InChIKey
WCUSZTFTCOTZHT-UHFFFAOYSA-N
Physicochemical Property
logP
4.9116
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 11503562
SID: 16605469
ChEMBL ID
CHEMBL380851
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: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 40 nM
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