COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355529
Chemical Name: 2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}ethanone
Smiles: Cc1ccc(c(c1)OCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-])C(C)C

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Molecular Weight: 480.61
Empirical Formula: C27H36N4O4

Physical State: Dry powder
Available Amount: 844 mg

Lipinsky:
logP: 6.586
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 4

     

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