COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK571305
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 545.53
Empirical Formula: C27H19N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.03
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 172
Number of rings: 6

     

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