COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182574
Chemical Name: 3-{[({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccc(cc1C)C

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Molecular Weight: 452.53
Empirical Formula: C23H24N4O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 5.306
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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