COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132714
Chemical Name: 2-bromo-N-{1-[4-ethyl-5-({2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: CCn1c(SCC(=O)Nc2cc(Cl)c(cc2Cl)Cl)nnc1C(NC(=O)c1ccccc1Br)C

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Molecular Weight: 591.74
Empirical Formula: C21H19BrCl3N5O2S

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 5.395
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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