COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048007
Chemical Name: (2E)-2-cyano-N-(4-ethoxyphenyl)-2-[(5E)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: CCOc1ccc(cc1)NC(=O)/C(=c\1/s/c(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C#N

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Molecular Weight: 578.61
Empirical Formula: C31H22N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.313
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 5

     

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