COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL015592
Chemical Name: 3,4-dihydroisoquinolin-2(1H)-yl{4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methanone
Smiles: O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 442.39
Empirical Formula: C23H17F3N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.286
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 75
Number of rings: 4

     

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