COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182099
Chemical Name: 3-{[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)COc1ccccc1C

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Molecular Weight: 412.47
Empirical Formula: C20H20N4O4S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 3.994
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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