COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112525
Chemical Name: 3-({2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoicacid
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1cccc(c1)C(=O)O)Cl

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Molecular Weight: 490.94
Empirical Formula: C27H23ClN2O5

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 5.79
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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