COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL388695
Chemical Name: (2Z)-3-[4-(benzyloxy)phenyl]-2-(3,4-dimethoxy-2,5-dinitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccccc1)/c1cc([N+](=O)[O-])c(c(c1[N+](=O)[O-])OC)OC

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Molecular Weight: 461.43
Empirical Formula: C24H19N3O7

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 5.392
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 143
Number of rings: 3

     

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