COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096852
Chemical Name: (2-chloro-4,5-difluorophenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Smiles: CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cc(F)c(cc1Cl)F

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Molecular Weight: 559.06
Empirical Formula: C29H33ClF2N4O3

Physical State: Dry powder
Available Amount: 376 mg

Lipinsky:
logP: 7.684
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 7

     

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