COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013040
Chemical Name: 1-[(1E)-3-(4-methylpiperidin-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Smiles: CC1CCN(CC1)C(=O)/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/n1ccccc1=O

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Molecular Weight: 411.41
Empirical Formula: C21H21N3O6

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 2.849
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 104
Number of rings: 4

     

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