COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385458
Chemical Name: (2E)-2-cyano-N-(4-methylphenyl)-3-(2-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCCSc1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C

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Molecular Weight: 428.55
Empirical Formula: C26H24N2O2S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 6.602
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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