COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202802
Chemical Name: (1Z)-2-(isoquinolinium-2-yl)-1-(methylamino)-3-oxobut-1-ene-1-thiolate
Smiles: CN/C(=C(/[n+]1ccc2c(c1)cccc2)\C(=O)C)/[S-]

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Molecular Weight: 258.34
Empirical Formula: C14H14N2OS

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 32
Number of rings: 2

     

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