COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295453
Chemical Name: N-[4-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrophenyl]acetamide
Smiles: CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Br)C

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Molecular Weight: 458.27
Empirical Formula: C19H16BrN5O4

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 2.358
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 119
Number of rings: 3

     

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