COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599532
Chemical Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 445.52
Empirical Formula: C20H19N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.159
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 151
Number of rings: 4

     

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