COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392774
Chemical Name: (2Z)-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)/C=C(/c1ccc(cc1)[N+](=O)[O-])\C#N

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 7.218
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 3

     

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