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

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Molecular Weight: 332.81
Empirical Formula: C16H13ClN2O2S

Physical State: Dry powder
Available Amount: 5359 mg

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

     

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