COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010936
Chemical Name: 3-(1-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}ethyl)tricyclo[3.3.1.1~3,7~]decan-1-ol
Smiles: CC(C12CC3CC(C1)CC(C2)(C3)O)Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 429.4
Empirical Formula: C19H22F3N3O5

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 5.726
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 123
Number of rings: 5

     

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