COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042519
Chemical Name: (4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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Molecular Weight: 586.67
Empirical Formula: C32H30N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.104
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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