COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548248
Chemical Name: methyl3,3,3-trifluoro-N-[(2-methylphenyl)carbonyl]-2-({5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1C)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 558.52
Empirical Formula: C21H17F3N4O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.862
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 196
Number of rings: 3

     

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