COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK612323
Chemical Name: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)C)/O

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Molecular Weight: 515.55
Empirical Formula: C27H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.225
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 153
Number of rings: 5

     

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