COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL338595
Chemical Name: methyl(2E)-3-{[(1E)-2-amino-1-cyanoprop-1-en-1-yl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Smiles: COC(=O)/C(=C(\S/C(=C(/N)\C)/C#N)/F)/C(F)(F)F

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Molecular Weight: 284.23
Empirical Formula: C9H8F4N2O2S

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 3.635
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 101
Number of rings: 0

     

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