COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK382196
Chemical Name: 2-[(1E)-2-cyano-3-({4-[(2,6-dimethylphenyl)sulfamoyl]phenyl}amino)-3-oxoprop-1-en-1-yl]phenyl4-(acetylamino)benzenesulfonate
Smiles: N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(cc1)NC(=O)C)/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1C

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Molecular Weight: 644.73
Empirical Formula: C32H28N4O7S2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.776
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 188
Number of rings: 4

     

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