General Information of the Compound
Compound ID
CP0460821
Compound Name
5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-methyl-imidazolidine-2,4-dione
    Show/Hide
Structure
Formula
C19H26N2O3
Molecular Weight
330.428
Canonical SMILES
CN1C(=O)NC(=O)\C1=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
    Show/Hide
InChI
InChI=1S/C19H26N2O3/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(24)21(14)7/h8-10,22H,1-7H3,(H,20,23,24)/b14-10-
    Show/Hide
InChIKey
ZYDXOADHNHTENC-UVTDQMKNSA-N
Physicochemical Property
logP
3.5097
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9996757
SID: 14976157
ChEMBL ID
CHEMBL48814
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 780 nM
   TI
   LI
   LO
   TS