COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021583
Chemical Name: (2Z)-2-cyano-N-(2,5-dimethylphenyl)-2-[(5E)-5-(4-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)Nc1cc(C)ccc1C

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Molecular Weight: 496.55
Empirical Formula: C27H20N4O4S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 5.505
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 144
Number of rings: 4

     

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