COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088876
Chemical Name: (2Z)-3-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1)/C=C(/c1ccc(cc1)[N+](=O)[O-])\C#N

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Molecular Weight: 486.57
Empirical Formula: C29H30N2O5

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 8.507
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 3

     

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