Details of the Drug

General Information of Drug (ID: DMJEX3D)

Drug Name

Heterocyclic-substituted 3-alkyl azetidine derivative 1

Synonyms

PMID26161824-Compound-158

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)

535

Logarithm of the Partition Coefficient (xlogp)

6.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C29H25ClF2N4O2
IUPAC Name: 3-[(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-[3-fluoro-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-2-methylpropyl]azetidin-1-yl]methyl]benzonitrile
Canonical SMILES: CC(C)([C@@H](C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C#N)C4=CC(=CC(=C4)C5=NNC(=O)O5)F)F
InChI: InChI=1S/C29H25ClF2N4O2/c1-29(2,32)25(20-11-21(13-24(31)12-20)27-34-35-28(37)38-27)22-15-36(16-22)26(18-6-8-23(30)9-7-18)19-5-3-4-17(10-19)14-33/h3-13,22,25-26H,15-16H2,1-2H3,(H,35,37)/t25-,26?/m1/s1
InChIKey: DQKCYKJTBAXWFL-DCWQJPKNSA-N