COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094506
Chemical Name: [3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-nitrophenyl)methanone
Smiles: Fc1ccc(cc1)N1C(=S)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 463.49
Empirical Formula: C24H18FN3O4S

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 4.222
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 110
Number of rings: 5

     

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