COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376881
Chemical Name: 5-(4-benzylpiperazin-1-yl)-1,3-diethyl-4,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one
Smiles: CCn1c(=O)n(c2c1c([N+](=O)[O-])c(N1CCN(CC1)Cc1ccccc1)c(c2)[N+](=O)[O-])CC

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Molecular Weight: 454.49
Empirical Formula: C22H26N6O5

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 5.403
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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