COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544240
Chemical Name: (3aS,6aS)-5-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.41
Empirical Formula: C24H16N4O6

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 2.123
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 6

     

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