COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840323
Chemical Name: 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6-ethyl-5-methylpyridine-3-carbonitrile
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc(CC)c(cc1C#N)C

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Molecular Weight: 411.52
Empirical Formula: C22H25N3O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.011
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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