COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL141966
Chemical Name: (2-methyl-3-phenyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3-nitrophenyl)methanone
Smiles: O=C(N1C2CC(N(C1=S)c1ccccc1)(C)Oc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 445.5
Empirical Formula: C24H19N3O4S

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 4.12
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 110
Number of rings: 5

     

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