COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483416
Chemical Name: 2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
Smiles: COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC

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Saltdata: 2C6H5SO3-
Molecular Weight: 929.16
Empirical Formula: C53H72N2O12

Available Amount: 0 mg

Lipinsky:
logP: 1.038
Rotatable bonds: 26
H-donors: 0
H-acceptors: 12
PSA: 126
Number of rings: 6

     

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