COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505849
Chemical Name: ethyl4-({(E)-[5-nitro-2-(pyrimidin-2-ylsulfanyl)phenyl]methylidene}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C/c1cc(ccc1Sc1ncccn1)[N+](=O)[O-]

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Molecular Weight: 408.44
Empirical Formula: C20H16N4O4S

Physical State: Dry powder
Available Amount: 559 mg

Lipinsky:
logP: 4.509
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 135
Number of rings: 3

     

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