COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000464
Chemical Name: ethyl5-(4-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 332.27
Empirical Formula: C14H12N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.407
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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