COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472827
Chemical Name: (2E)-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCc1cccc(c1)C(F)(F)F)/C(=O)Nc1sc(c(c1C#N)CC)C

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Molecular Weight: 495.53
Empirical Formula: C26H20F3N3O2S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 6.992
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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