COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK101547
Chemical Name: ethyl(2Z)-3-{2-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 461.27
Empirical Formula: C20H17BrN2O6

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 4.724
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 2

     

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