COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK710072
Chemical Name: methyl5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 318.25
Empirical Formula: C13H10N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.938
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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