Details of the Drug

General Information of Drug (ID: DM7ZOLE)

Drug Name

SR-31742A

Synonyms

SR 31742A; [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane hydrochloride; (Z)-1-(3-(3-Chloro-4-cyclohexylphenyl)-2-propenyl)hexahydro-1H-azepine hydrochloride; 3-(Hexahydroazepin-1-yl)-1-(3-chloro-4-cyclohexylphenyl)-1-propene hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

367.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

0

Chemical Identifiers

Formula: C22H32Cl2
IUPAC Name: [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride
Canonical SMILES: C1CCCC(CC1)C/C=C\\C2=CC(=C(C=C2)C3CCCCC3)Cl.Cl
InChI: InChI=1S/C22H31Cl.ClH/c23-22-17-19(12-8-11-18-9-4-1-2-5-10-18)15-16-21(22)20-13-6-3-7-14-20;/h8,12,15-18,20H,1-7,9-11,13-14H2;1H/b12-8-;
InChIKey: YAPBCZRQTMBLEF-JCTPKUEWSA-N