COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL183114
Chemical Name: 4-[({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1Cc1ccccc1

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Molecular Weight: 408.48
Empirical Formula: C21H20N4O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 4.525
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 3

     

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