COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525554
Chemical Name: 4,8-bis{[(4-methylphenyl)sulfonyl]methyl}-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Smiles: Cc1ccc(cc1)S(=O)(=O)CN1CCN2CC(C1)(CN(C2)CS(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]

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Molecular Weight: 522.65
Empirical Formula: C23H30N4O6S2

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 4.669
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 140
Number of rings: 4

     

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