COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003117
Chemical Name: (2E)-3-[2-(benzyloxy)-3-methoxyphenyl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1OCc1ccccc1)OC)/C(=O)Nc1ccc(cc1[N+](=O)[O-])OC

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Molecular Weight: 459.46
Empirical Formula: C25H21N3O6

Physical State: Dry powder
Available Amount: 483 mg

Lipinsky:
logP: 5.431
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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