COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400411
Chemical Name: 3-[(4E)-4-(3-chloro-5-ethoxy-4-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OC)Cl

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Molecular Weight: 414.85
Empirical Formula: C21H19ClN2O5

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.135
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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