COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535246
Chemical Name: methyl2-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 406.42
Empirical Formula: C20H14N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.066
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 149
Number of rings: 3

     

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