General Information of the Compound
Compound ID
CP0389948
Compound Name
N-[4-[hydroxy(dimethyl)silyl]phenyl]-N-(2-methoxyethyl)benzenesulfonamide
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Structure
Formula
C17H23NO4SSi
Molecular Weight
365.527
Canonical SMILES
COCCN(c1ccc(cc1)[Si](C)(C)O)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C17H23NO4SSi/c1-22-14-13-18(23(19,20)16-7-5-4-6-8-16)15-9-11-17(12-10-15)24(2,3)21/h4-12,21H,13-14H2,1-3H3
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InChIKey
QLFYITAUDVXXCJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9327
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
66.84
Hydrogen Bond Donor Count
1
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: 145982851
ChEMBL ID
CHEMBL4247454
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: 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 = 4200 nM
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