COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527206
Chemical Name: 2-{[5-(butan-2-yl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}-1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: CCC(c1c(O)nc(nc1O)SCC(=O)N1CCc2c([C@@H]1C)cc(c(c2)OC)OC)C

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Molecular Weight: 447.56
Empirical Formula: C22H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.137
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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