COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543016
Chemical Name: (3aS,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@H]2N(N=C([C@H]2C(=O)N1c1ccc2c(c1)OCCO2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 470.44
Empirical Formula: C25H18N4O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.927
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 6

     

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