COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK733691
Chemical Name: ethyl1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccc(cc1)C

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Molecular Weight: 422.4
Empirical Formula: C21H18N4O6

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 1.568
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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