COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK297790
Chemical Name: N-{[4-ethyl-5-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2F)F)F)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 493.47
Empirical Formula: C21H18F3N5O4S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 3.003
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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