COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL395294
Chemical Name: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}ethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)[N+](=O)[O-])C)NCC/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 418.37
Empirical Formula: C17H18N6O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.884
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 169
Number of rings: 3

     

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