COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182125
Chemical Name: 3-{[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1cc(C)ccc1C

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Molecular Weight: 440.52
Empirical Formula: C22H24N4O4S

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 4.986
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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