COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474116
Chemical Name: (2E)-2-cyano-N-(3-cyanothiophen-2-yl)-3-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)COc1ccc(cc1)[N+](=O)[O-])OC)/C(=O)Nc1sccc1C#N

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Molecular Weight: 460.47
Empirical Formula: C23H16N4O5S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.721
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 169
Number of rings: 3

     

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