COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392776
Chemical Name: (2Z)-3-{3-[2-(4-nitrophenoxy)ethoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)OCCOc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 431.4
Empirical Formula: C23H17N3O6

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 5.811
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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