COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094868
Chemical Name: 3-(2-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Smiles: O=C1NC2CC(N1c1ccccc1Br)(C)Oc1c2cc(cc1)[N+](=O)[O-]

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Molecular Weight: 404.22
Empirical Formula: C17H14BrN3O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.763
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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