Details of the Drug

General Information of Drug (ID: DMXL2V9)

Drug Name

Azetidine derivative 4

Synonyms

PMID26161824-Compound-174

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)

660.5

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C29H30Cl2F3N3O5S
IUPAC Name: 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)benzamide
Canonical SMILES: CC(CO)(CO)NC(=O)C1=CC(=CC(=C1)N(C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)S(=O)(=O)C)C(F)(F)F
InChI: InChI=1S/C29H30Cl2F3N3O5S/c1-28(16-38,17-39)35-27(40)20-11-21(29(32,33)34)13-24(12-20)37(43(2,41)42)25-14-36(15-25)26(18-3-7-22(30)8-4-18)19-5-9-23(31)10-6-19/h3-13,25-26,38-39H,14-17H2,1-2H3,(H,35,40)
InChIKey: OMKQCMZJBZXEKN-UHFFFAOYSA-N