COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295107
Chemical Name: 1-{(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-nitroguanidine
Smiles: N=C(N[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C

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Molecular Weight: 316.32
Empirical Formula: C14H16N6O3

Physical State: Dry powder
Available Amount: 265 mg

Lipinsky:
logP: 1.156
Rotatable bonds: 0
H-donors: 3
H-acceptors: 3
PSA: 126
Number of rings: 2

     

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