General Information of the Compound
Compound ID
CP0102322
Compound Name
(E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2,4-dione
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Structure
Formula
C13H14N2O5
Molecular Weight
278.264
Canonical SMILES
COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC
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InChI
InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+
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InChIKey
MIPHJRZSHMVBJB-XBXARRHUSA-N
CAS
23585-90-2
Physicochemical Property
logP
0.8927
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
85.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 760516
ChEMBL ID
CHEMBL1630442
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: PT01170, DNA topoisomerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS