COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005448
Chemical Name: 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc(cc1C(F)(F)F)C(C)(C)C

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Molecular Weight: 422.43
Empirical Formula: C20H17F3N2O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.239
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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