COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958867
Chemical Name: 3-{(4Z)-4-[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CCOC(=O)COc1c(I)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C

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Molecular Weight: 564.33
Empirical Formula: C23H21IN2O7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.549
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 114
Number of rings: 3

     

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