COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616701
Chemical Name: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

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Molecular Weight: 515.55
Empirical Formula: C27H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.296
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 153
Number of rings: 5

     

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