COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431855
Chemical Name: 2-chloro-5-[(4Z)-3-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 385.76
Empirical Formula: C18H12ClN3O5

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 3.034
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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