COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077230
Chemical Name: (2E)-2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-ethoxyphenyl}-N-[3-(methylsulfanyl)phenyl]prop-2-enamide
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C(/C(=O)Nc1cccc(c1)SC)\C#N

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Molecular Weight: 469.56
Empirical Formula: C27H23N3O3S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 5.351
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 3

     

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