COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219796
Chemical Name: ethyl4-[(4E)-4-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1N=C(/C(=C\c2cc(Cl)c(c(c2)OCC)O)/C1=O)C

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Molecular Weight: 428.87
Empirical Formula: C22H21ClN2O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.38
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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