Details of the Drug

General Information of Drug (ID: DM6TJFU)

Drug Name

CINANSERIN

Synonyms

CINANSERIN; Cinanserin [INN]; 1166-34-3; Cinanserine [INN-French]; Cinanserinum [INN-Latin]; UNII-KI6J9OY7A3; Cinanserina [INN-Spanish]; KI6J9OY7A3; CHEMBL18786; NCGC00024599-02; 2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl-; DSSTox_RID_81031; DSSTox_CID_25653; DSSTox_GSID_45653; Cinanserinum; Cinanserina; Cinanserine; CAS-1166-34-3; Cinanserin Monohydrochloride; Cinaserin; SQ 16167; SQ-16,167; SQ-10,643; AC1NUDS4; Biomol-NT_000092; 2'-((3-Dimethylaminopropyl)thio)cinnamanilide; SCHEMBL571561; BPBio1_001097

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

340.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H24N2OS
IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Canonical SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2
InChI: InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChIKey: RSUVYMGADVXGOU-BUHFOSPRSA-N