COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171879
Chemical Name: 1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3

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Molecular Weight: 488.63
Empirical Formula: C29H36N4O3

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 7

     

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