COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371643
Chemical Name: ethyl2-[(4E)-4-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(OCC)c(c(c2)CC=C)OCc2ccccc2C#N)/C1=O)C

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Molecular Weight: 570.67
Empirical Formula: C31H30N4O5S

Physical State: Dry powder
Available Amount: 600 mg

Lipinsky:
logP: 5.919
Rotatable bonds: 11
H-donors: 0
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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