COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094872
Chemical Name: 3-(4-bromo-2-fluorophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Smiles: Brc1ccc(c(c1)F)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)[N+](=O)[O-]

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Molecular Weight: 422.21
Empirical Formula: C17H13BrFN3O4

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 3.805
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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