COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378737
Chemical Name: ethyl2-[(4E)-4-(2,4-diethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOc1ccc(c(c1)OCC)/C=C/1\C(=NN(C1=O)c1nc(c(s1)C(=O)OCC)C)C

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Molecular Weight: 443.52
Empirical Formula: C22H25N3O5S

Physical State: Dry powder
Available Amount: 802 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 118
Number of rings: 3

     

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