COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK613396
Chemical Name: methyl2-[(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COc1cccc(c1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O

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Molecular Weight: 470.53
Empirical Formula: C22H18N2O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.069
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 162
Number of rings: 4

     

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