COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171156
Chemical Name: (4E)-4-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(cc(c1OCc1ccccc1)I)/C=C/1\C(=NN(C1=O)c1ccccc1Cl)C

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Molecular Weight: 558.8
Empirical Formula: C25H20ClIN2O3

Physical State: Dry powder
Available Amount: 19 mg

Lipinsky:
logP: 6.316
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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