COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK193598
Chemical Name: N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxy-5-nitrophenyl)-N~3~-methyl-beta-alaninamide
Smiles: COc1ccc(cc1NC(=O)CCN(CCc1ccc(c(c1)OC)OC)C)[N+](=O)[O-]

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Molecular Weight: 417.46
Empirical Formula: C21H27N3O6

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 2.489
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 105
Number of rings: 2

     

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