COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431766
Chemical Name: 2-chloro-5-[(4Z)-4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)C

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Molecular Weight: 397.86
Empirical Formula: C21H20ClN3O3

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 4.172
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 73
Number of rings: 3

     

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