COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK441020
Chemical Name: 3,4-dihydroisoquinolin-2(1H)-yl(2,4-dinitrophenyl)methanone
Smiles: O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N1CCc2c(C1)cccc2

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Molecular Weight: 327.3
Empirical Formula: C16H13N3O5

Physical State: Dry powder
Available Amount: 746 mg

Lipinsky:
logP: 1.719
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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