COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059052
Chemical Name: 1,21,23,25-tetrahexyl-5,9,13,17-tetrakis(2-methylpropoxy)-1H,21H,23H,25H-2,20:3,19-di(metheno)[1,3,2]benzodioxaborocino[9',8':4,5][1,3,2]benzodioxaborocino[9,8-d][1,3,2]dioxaborocino[5,4-i][1,3,2]benz
Smiles: CCCCCCC1c2cc3c4cc2OB(Oc2c1cc1c(c2)OB(OCC(C)C)Oc2c(C1CCCCCC)cc1C(c5cc(C3CCCCCC)c(OB(O4)OCC(C)C)cc5OB(Oc1c2)OCC(C)C)CCCCCC)OCC(C)C

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Molecular Weight: 1152.78
Empirical Formula: C68H100B4O12

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 0
Rotatable bonds: 28
H-donors: 0
H-acceptors: 12
PSA: 110
Number of rings: 8

     

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