COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182112
Chemical Name: 3-[({[5-(2-hydroxy-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)-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)nnc1C(NC(=O)c1ccc(cc1)OC)CO

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Molecular Weight: 511.56
Empirical Formula: C24H25N5O6S

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 3.905
Rotatable bonds: 11
H-donors: 4
H-acceptors: 6
PSA: 180
Number of rings: 3

     

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