COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036968
Chemical Name: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

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Molecular Weight: 530.6
Empirical Formula: C29H26N2O6S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.988
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 5

     

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