COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806716
Chemical Name: (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one
Smiles: COc1ccc(cc1S(=O)(=O)N1CCCCC1)/C=C/C(=O)n1cnnc1SCC(=O)c1ccccc1

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Molecular Weight: 526.64
Empirical Formula: C25H26N4O5S2

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 4.328
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 145
Number of rings: 4

     

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