COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK609540
Chemical Name: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cccs2)\O)/C(=O)C1=O

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Molecular Weight: 491.55
Empirical Formula: C24H17N3O5S2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.166
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 172
Number of rings: 5

     

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