Details of the Drug

General Information of Drug (ID: DMO1Y30)

Drug Name

Heterocyclic-substituted 3-alkyl azetidine derivative 3

Synonyms

PMID26161824-Compound-160

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

518.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C29H25F3N4O2
IUPAC Name: 3-[[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]methyl]benzonitrile
Canonical SMILES: CC(C)(C(C1CN(C1)C(C2=CC=C(C=C2)C3=NNC(=O)O3)C4=CC=CC(=C4)C#N)C5=CC(=CC(=C5)F)F)F
InChI: InChI=1S/C29H25F3N4O2/c1-29(2,32)25(21-11-23(30)13-24(31)12-21)22-15-36(16-22)26(20-5-3-4-17(10-20)14-33)18-6-8-19(9-7-18)27-34-35-28(37)38-27/h3-13,22,25-26H,15-16H2,1-2H3,(H,35,37)
InChIKey: SROKVDFDVQITLS-UHFFFAOYSA-N