COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK736499
Chemical Name: methyl2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
Smiles: COC(=O)C(C(c1ccc(c(c1)OC)OC)C[N+](=O)[O-])C(=O)C

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Molecular Weight: 325.32
Empirical Formula: C15H19NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.393
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 1

     

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