COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047585
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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Molecular Weight: 534.59
Empirical Formula: C28H26N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 139
Number of rings: 5

     

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