COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042727
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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Molecular Weight: 552.65
Empirical Formula: C32H28N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.714
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 6

     

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