General Information of the Compound
Compound ID
CP0466299
Compound Name
N-ethyl-N-[4-[hydroxy(dimethyl)silyl]phenyl]benzenesulfonamide
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Structure
Formula
C16H21NO3SSi
Molecular Weight
335.501
Canonical SMILES
CCN(c1ccc(cc1)[Si](C)(C)O)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C16H21NO3SSi/c1-4-17(21(18,19)15-8-6-5-7-9-15)14-10-12-16(13-11-14)22(2,3)20/h5-13,20H,4H2,1-3H3
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InChIKey
VTYNTIZIGYBROX-UHFFFAOYSA-N
Physicochemical Property
logP
2.3062
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 145985210
ChEMBL ID
CHEMBL4239055
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: PT02658, Nuclear receptor ROR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1900 nM
   TI
   LI
   LO
   TS