General Information of the Compound
Compound ID
CP0463916
Compound Name
CHEBI:4888
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Synonyms
(+-)-3-Ethyl-5-phenylhydantoin
1-Ethyl-2,5-dioxo-4-phenylimidazolidine
3-Ethyl-5-phenyl-2,4-imidazolidinedione
3-Ethyl-5-phenylhydantoin
3-Ethyl-5-phenylimidazolidin-2,4-dione
3-ethyl-5-phenylimidazolidine-2,4-dione
Abbott brand of ethotoin
Accenon
Accenon (TN)
Ethotoin
Ethotoin (JAN/USP/INN)
Ethotoin [INN:BAN:JAN]
Ethotoine
Ethotoine [INN-French]
Ethotoinum
Ethotoinum [INN-Latin]
Etotoina
Etotoina [INN-Spanish]
Peganone
Peganone (TN)
Pegoanone
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Structure
Formula
C11H12N2O2
Molecular Weight
204.229
Canonical SMILES
CCN1C(=O)NC(C1=O)c1ccccc1
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InChI
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
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InChIKey
SZQIFWWUIBRPBZ-UHFFFAOYSA-N
CAS
86-35-1
Physicochemical Property
logP
1.2994
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
49.41
Hydrogen Bond Donor Count
1
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: 3292
SID: 15463341
ChEMBL ID
CHEMBL1095
DrugBank ID
DB00754
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ethotoin )
Drug Name Ethotoin
Company Ovation Pharmaceuticals
Indication
Complex partial seizure
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
Blocker