COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526697
Chemical Name: 3,3'-piperazine-1,4-diylbis(5,5-dimethyl-2-nitrocyclohex-2-en-1-one)
Smiles: [O-][N+](=O)C1=C(CC(CC1=O)(C)C)N1CCN(CC1)C1=C([N+](=O)[O-])C(=O)CC(C1)(C)C

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Molecular Weight: 420.47
Empirical Formula: C20H28N4O6

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 2.069
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 132
Number of rings: 3

     

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