COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080020
Chemical Name: 1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one
Smiles: CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])C

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Molecular Weight: 396.49
Empirical Formula: C22H28N4O3

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.161
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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