General Information of the Compound
Compound ID
CP0904526
Compound Name
5-(4-methylbenzylidene)-2-thioxoimidazolidin-4-one
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Structure
Formula
C11H10N2OS
Molecular Weight
218.281
Canonical SMILES
Cc1ccc(/C=C2/NC(=S)NC2=O)cc1
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InChI
InChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
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InChIKey
LVZWRKRBUQBXCG-RMKNXTFCSA-N
Physicochemical Property
logP
1.34022
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 710216
ChEMBL ID
CHEMBL3623271
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