COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335538
Chemical Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1OC)C(c1c(C)[nH][nH]c1=O)C[N+](=O)[O-]

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Molecular Weight: 307.31
Empirical Formula: C14H17N3O5

Available Amount: 0 mg

Lipinsky:
logP: 2.37
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 2

     

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