COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211522
Chemical Name: 4-{[({5-[(2-methoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: COc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)C(=O)O

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Molecular Weight: 442.5
Empirical Formula: C21H22N4O5S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.807
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 3

     

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