COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245644
Chemical Name: 2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1cc2c(o1)ccc(c2)Br

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Molecular Weight: 497.42
Empirical Formula: C23H21BrN4O2S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 5.843
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 5

     

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