COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564569
Chemical Name: (4E)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 422.42
Empirical Formula: C20H14N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.307
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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