COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558100
Chemical Name: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
Smiles: COc1cc(NS(=O)(=O)c2ccc3c(c2)sc(n3)SC)c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

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Molecular Weight: 597.74
Empirical Formula: C28H27N3O6S3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.702
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 170
Number of rings: 5

     

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