Details of the Drug

General Information of Drug (ID: DMFR23C)

Drug Name

1,2,3-triazole derivative 2

Synonyms

PMID26161824-Compound-91

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)

524.2

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H15Cl4FN4O
IUPAC Name: 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
Canonical SMILES: C1=CC(=CC=C1CNC(=O)CN2N=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)Cl)Cl)F
InChI: InChI=1S/C23H15Cl4FN4O/c24-14-3-7-17(19(26)9-14)22-23(18-8-4-15(25)10-20(18)27)31-32(30-22)12-21(33)29-11-13-1-5-16(28)6-2-13/h1-10H,11-12H2,(H,29,33)
InChIKey: MDVQABZPIQBGMA-UHFFFAOYSA-N