COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016085
Chemical Name: N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 495.56
Empirical Formula: C25H25N3O6S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 3.316
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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