COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117743
Chemical Name: N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)SCC(=O)c1ccc(cc1)Br

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Molecular Weight: 519.42
Empirical Formula: C22H23BrN4O4S

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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