COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536991
Chemical Name: dimethyl2-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,4-dicarboxylate
Smiles: N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 464.46
Empirical Formula: C22H16N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.694
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 175
Number of rings: 3

     

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