COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317754
Chemical Name: methyl(2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Smiles: N#C/C(=C\1/NC(C)(C)Cc2c1cccc2)/S/C(=C(/C(F)(F)F)\C(=O)OC)/F

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Molecular Weight: 400.4
Empirical Formula: C18H16F4N2O2S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.77
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 2

     

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