COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058983
Chemical Name: 4-{(1E,3E)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
Smiles: [O-]C(=O)C1=NN(C(=O)/C/1=C/C=C/c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]

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Saltdata: 4K+
Molecular Weight: 600.5
Empirical Formula: C23H12N4O12S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -0.502
Rotatable bonds: 3
H-donors: 1
H-acceptors: 12
PSA: 282
Number of rings: 4

     

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