COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299938
Chemical Name: ethylN-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
Smiles: CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1ccc(cc1)Br

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Molecular Weight: 522.35
Empirical Formula: C22H24BrN3O7

Physical State: Dry powder
Available Amount: 239 mg

Lipinsky:
logP: 3.502
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 139
Number of rings: 2

     

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