COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046539
Chemical Name: methyl2-[(3E)-3-[hydroxy(4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O

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Molecular Weight: 509.5
Empirical Formula: C24H19N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.091
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 4

     

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