COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561547
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)C(C)C

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Molecular Weight: 482.6
Empirical Formula: C29H26N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.888
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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