COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675111
Chemical Name: 2-chloro-5-{(4E)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc2c1oc(=O)s2

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Molecular Weight: 444.85
Empirical Formula: C20H13ClN2O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.87
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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