COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094381
Chemical Name: 2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Smiles: S=C1NC2CC(N1c1ccccc1)(C)Oc1c2cc(cc1)[N+](=O)[O-]

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Molecular Weight: 341.39
Empirical Formula: C17H15N3O3S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.448
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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