COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172376
Chemical Name: 1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: O=C(N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3

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Molecular Weight: 496.49
Empirical Formula: C23H27F3N4O5

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 7.592
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 6

     

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