COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211710
Chemical Name: ethyl(2E)-3-{2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(ccc1OCCOc1ccc(cc1)Br)[N+](=O)[O-])/C#N

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Molecular Weight: 461.27
Empirical Formula: C20H17BrN2O6

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 5.14
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 2

     

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