COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545686
Chemical Name: 2-amino-6-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCC(=O)N1CCc2c(C1)cc(c(c2)OC)OC)N

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Saltdata: 0,5 DMFA
Molecular Weight: 409.47
Empirical Formula: C20H19N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.078
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 150
Number of rings: 3

     

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