COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532852
Chemical Name: ethylO-methyl-N-{4-[(4-methylphenyl)amino]-4-oxobutanoyl}-3-nitrotyrosinate
Smiles: CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1ccc(cc1)C

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Molecular Weight: 457.48
Empirical Formula: C23H27N3O7

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 2.755
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 139
Number of rings: 2

     

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