COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550612
Chemical Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CSc1nccn1C

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Molecular Weight: 553.72
Empirical Formula: C30H39N3O5S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 6.35
Rotatable bonds: 13
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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