COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553169
Chemical Name: N-[(E)-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](phenyl)methylidene]benzenesulfonamide
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)/C(=N/S(=O)(=O)c1ccccc1)/c1ccccc1

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Molecular Weight: 642.82
Empirical Formula: C37H42N2O6S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 8.057
Rotatable bonds: 10
H-donors: 0
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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