COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK523453
Chemical Name: methyl3-(azepan-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]-4-oxobutanoate
Smiles: COC(=O)CC(C(=O)Nc1ccc(cc1[N+](=O)[O-])OC)N1CCCCCC1

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Molecular Weight: 379.41
Empirical Formula: C18H25N3O6

Available Amount: 0 mg

Lipinsky:
logP: 4.289
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 2

     

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