Details of the Drug

General Information of Drug (ID: DMXEFUD)

Drug Name

Azetidine derivative 1

Synonyms

PMID26161824-Compound-157

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): 1

Molecular Weight (mw)

479.4

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H21Cl2FN2O2S
IUPAC Name: N-[(2S)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-4-fluorobenzenesulfonamide
Canonical SMILES: C[C@H]1C(CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H21Cl2FN2O2S/c1-15-22(27-31(29,30)21-12-10-20(26)11-13-21)14-28(15)23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-13,15,22-23,27H,14H2,1H3/t15-,22?/m0/s1
InChIKey: BNBGRXOGPFOPLL-UEDXYCIISA-N