COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK420358
Chemical Name: 2-nitro-N-[(1,3,3-trimethyl-5-{[(2-nitrophenyl)sulfonyl]amino}cyclohexyl)methyl]benzenesulfonamide
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)NCC1(C)CC(CC(C1)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 540.62
Empirical Formula: C22H28N4O8S2

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 4.981
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 200
Number of rings: 3

     

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