COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054174
Chemical Name: (4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

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Molecular Weight: 588.64
Empirical Formula: C31H28N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 6

     

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