COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294357
Chemical Name: 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2cc(n(c2C)CC)C)nnc1c1ccccc1O

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Molecular Weight: 396.51
Empirical Formula: C21H24N4O2S

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 5.882
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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