COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554527
Chemical Name: 4-{(1E)-2-(acetylamino)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCCc1ccccc1

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Molecular Weight: 478.57
Empirical Formula: C26H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.279
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 109
Number of rings: 3

     

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