COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK312644
Chemical Name: (2Z)-3-(dimethylamino)-1-(1-methyl-4-nitro-1H-pyrazol-3-yl)prop-2-en-1-one
Smiles: CN(/C=C\C(=O)c1nn(cc1[N+](=O)[O-])C)C

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Molecular Weight: 224.22
Empirical Formula: C9H12N4O3

Physical State: Dry powder
Available Amount: 5055 mg

Lipinsky:
logP: 0.092
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 1

     

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