COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051741
Chemical Name: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl

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Molecular Weight: 653.15
Empirical Formula: C36H29ClN2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.592
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 7

     

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