COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297436
Chemical Name: dimethyl4,4'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(4-oxobutanoate)
Smiles: COC(=O)CCC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)CCC(=O)OC

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Molecular Weight: 400.39
Empirical Formula: C16H24N4O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.425
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 142
Number of rings: 2

     

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