COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294921
Chemical Name: butyl2-chloro-5-({(E)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Smiles: CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)C)ccc1Cl

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Molecular Weight: 515.22
Empirical Formula: C22H19Cl4N3O3

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 6.637
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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