COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385457
Chemical Name: (2E)-3-(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCCSc1ccc(cc1)Cl)/C(=O)Nc1cccc(c1)C

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Molecular Weight: 448.97
Empirical Formula: C25H21ClN2O2S

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 7.167
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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