COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148665
Chemical Name: 2-nitro-N-(4-phenylbutan-2-yl)-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline
Smiles: CC(Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccccc1)CCc1ccccc1

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Molecular Weight: 494.61
Empirical Formula: C26H30N4O4S

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 6.914
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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