COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998122
Chemical Name: methyl(2E)-3-{[(Z)-cyano(6',7'-dimethyl-2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Smiles: N#C/C(=C\1/NC2(CCCCC2)Cc2c1cc(C)c(c2)C)/S/C(=C(/C(F)(F)F)\C(=O)OC)/F

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Molecular Weight: 468.52
Empirical Formula: C23H24F4N2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.734
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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