COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK194921
Chemical Name: 1-[4-(benzyloxy)-3-methoxybenzyl]-4-[(4-nitrophenyl)sulfonyl]piperazine
Smiles: COc1cc(ccc1OCc1ccccc1)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 497.57
Empirical Formula: C25H27N3O6S

Physical State: Dry powder
Available Amount: 471 mg

Lipinsky:
logP: 4.659
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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