COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545194
Chemical Name: 2-{3-(4-nitrophenyl)-5-[(2-oxo-2-{[2-(propan-2-yloxy)phenyl]amino}ethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N-[2-(propan-2-yloxy)phenyl]acetamide
Smiles: O=C(Nc1ccccc1OC(C)C)CSc1nc(nn1CC(=O)Nc1ccccc1OC(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 604.69
Empirical Formula: C30H32N6O6S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 6.39
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 178
Number of rings: 4

     

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