COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059273
Chemical Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylpyridinium
Smiles: Cc1cc[n+](cc1)CC1OCc2c(CO1)cccc2

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Saltdata: Cl-
Molecular Weight: 256.32
Empirical Formula: C16H18NO2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.784
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 22
Number of rings: 3

     

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