COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558084
Chemical Name: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-nitrobenzenesulfonamide
Smiles: COc1cc(Cc2nccc3c2cc(OC)c(c3)OC)c(cc1OC)NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 539.57
Empirical Formula: C26H25N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.044
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 150
Number of rings: 4

     

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