COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK691374
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: O=C1CC(c2cccc(c2)[N+](=O)[O-])c2c(N1)n(nc2)Cc1ccc2c(c1)OCO2

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Molecular Weight: 392.37
Empirical Formula: C20H16N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.548
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 5

     

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