COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL198706
Chemical Name: 6-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-3-methylpyrazin-2(1H)-one
Smiles: O=C(N1CCc2c(C1)cccc2)CSc1cnc(c(=O)[nH]1)C

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Molecular Weight: 315.4
Empirical Formula: C16H17N3O2S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.83
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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