COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000114
Chemical Name: 2- {[(6- chloro- 1,3- benzodioxol- 5- yl)methyl]sulfanyl}- 4,6- dimethylpyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCc1cc2OCOc2cc1Cl)C

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 332.81
Empirical Formula: C16H13ClN2O2S

Physical State: Dry powder
Available Amount: 5304 mg

Lipinsky:
logP: 4.291
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 80
Number of rings: 3

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