COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016435
Chemical Name: 3-[(1E)-2-cyano-3-({4-[(4-methylphenyl)sulfamoyl]phenyl}amino)-3-oxoprop-1-en-1-yl]phenyl4-chlorobenzenesulfonate
Smiles: N#C/C(=C\c1cccc(c1)OS(=O)(=O)c1ccc(cc1)Cl)/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C

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Molecular Weight: 608.09
Empirical Formula: C29H22ClN3O6S2

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 6.607
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 159
Number of rings: 4

     

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