COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840722
Chemical Name: 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nc(C)c(c(c1C#N)C)C

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Molecular Weight: 411.52
Empirical Formula: C22H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.939
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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