COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057440
Chemical Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-methoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC

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Molecular Weight: 628.75
Empirical Formula: C35H36N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.382
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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