COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313251
Chemical Name: (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
Smiles: CN(/C=C(/n1ncc(c1)[N+](=O)[O-])\C(=O)C)C

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Molecular Weight: 224.22
Empirical Formula: C9H12N4O3

Physical State: Dry powder
Available Amount: 5067 mg

Lipinsky:
logP: 0.794
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 1

     

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