COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436679
Chemical Name: (ethoxycarbonyl)(isoquinolinium-2-yl)[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]methanide
Smiles: CCOC(=O)[C-]([n+]1ccc2c(c1)cccc2)C1=NC(=O)/C(=C\C(=O)OC)/S1

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Molecular Weight: 384.41
Empirical Formula: C19H16N2O5S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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