COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473125
Chemical Name: (2E)-2-cyano-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-N-(pyridin-3-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)COc1ccc(c(c1)C)[N+](=O)[O-])OC)/C(=O)NCc1cccnc1

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Molecular Weight: 458.47
Empirical Formula: C25H22N4O5

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 3.478
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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