COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161189
Chemical Name: 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylicacid
Smiles: O=C(N1CCc2c(C1)cccc2)CSc1ncccc1C(=O)O

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Molecular Weight: 328.39
Empirical Formula: C17H16N2O3S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.466
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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