COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040677
Chemical Name: methyl5-(3-nitrophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])N=O

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Molecular Weight: 347.24
Empirical Formula: C13H9N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.95
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 154
Number of rings: 3

     

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