COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533376
Chemical Name: ethylN-[4-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-oxobutanoyl]-O-methyl-3-nitrotyrosinate
Smiles: CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

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Molecular Weight: 628.66
Empirical Formula: C28H32N6O9S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 2.539
Rotatable bonds: 10
H-donors: 3
H-acceptors: 9
PSA: 219
Number of rings: 3

     

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