COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327351
Chemical Name: 4-{2-[(4-tert-butyl-2,6-dimethylphenyl)sulfanyl]ethyl}-1-[2-(4-nitrophenyl)-2-oxoethyl]pyridinium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccc(cc1)CCSc1c(C)cc(cc1C)C(C)(C)C

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Saltdata: Br-
Molecular Weight: 463.62
Empirical Formula: C27H31N2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.831
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 92
Number of rings: 3

     

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