Details of the Drug

General Information of Drug (ID: DMO9WZN)

Drug Name

CV-6504.HCL

Synonyms

117585-83-8; 2,3,5-Trimethyl-6-(3-pyridylmethyl)-2,5-cyclohexane-1,4-dione hydrochloride; 3,5,6-Trimethyl-2-(3-pyridylmethyl)-1,4-benzoquinone hydrochloride; CV-6504.HCl

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

277.74

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C15H16ClNO2
IUPAC Name: 2,3,5-trimethyl-6-(pyridin-3-ylmethyl)cyclohexa-2,5-diene-1,4-dione;hydrochloride
Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)C)CC2=CN=CC=C2)C.Cl
InChI: InChI=1S/C15H15NO2.ClH/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12;/h4-6,8H,7H2,1-3H3;1H
InChIKey: FBOCJGYMOAAFSO-UHFFFAOYSA-N