General Information of the Compound
Compound ID
CP0396048
Compound Name
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
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Structure
Formula
C25H29N3O4Si
Molecular Weight
463.61
Canonical SMILES
COc1ccc(cc1)C(N(C)C(=O)c1ccc(O)nc1)C(=O)Nc1ccc(cc1)[Si](C)(C)C
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InChI
InChI=1S/C25H29N3O4Si/c1-28(25(31)18-8-15-22(29)26-16-18)23(17-6-11-20(32-2)12-7-17)24(30)27-19-9-13-21(14-10-19)33(3,4)5/h6-16,23H,1-5H3,(H,26,29)(H,27,30)
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InChIKey
PLOUVPYZEDJWSN-UHFFFAOYSA-N
Physicochemical Property
logP
3.793
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
91.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 145978063
ChEMBL ID
CHEMBL4205182
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: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 35 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM