COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182030
Chemical Name: 3-[({[5-(4-methoxybenzyl)-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)nnc1Cc1ccc(cc1)OC

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 4.449
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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