COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381452
Chemical Name: 4-{(1E)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}phenyl4-(acetylamino)benzenesulfonate
Smiles: N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)NC(=O)C)/C(=O)Nc1c(C)cc(cc1C)C

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Molecular Weight: 503.58
Empirical Formula: C27H25N3O5S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.173
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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