COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419619
Chemical Name: (2Z)-2-cyano-3-(4-{[2-(cyanomethoxy)benzyl]oxy}-3-ethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]prop-2-enamide
Smiles: N#CCOc1ccccc1COc1ccc(cc1OCC)/C=C(\C(=O)Nc1cccc(c1)SC)/C#N

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Molecular Weight: 499.59
Empirical Formula: C28H25N3O4S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 5.519
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 3

     

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