COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036165
Chemical Name: 2-chloro-5-{(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1sccc1C)c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 360.82
Empirical Formula: C17H13ClN2O3S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.409
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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