COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045542
Chemical Name: (4E)-4-[(3-chloro-4-methoxyphenyl)(hydroxy)methylidene]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1Cl)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc(c(n1)C)C)/O

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Molecular Weight: 499.93
Empirical Formula: C23H18ClN3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 153
Number of rings: 4

     

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