COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039912
Chemical Name: 4-chloro-2-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ammonio]ethyl}phenolate
Smiles: Clc1ccc(c(c1)C([NH2+]c1c(C)n(n(c1=O)c1ccccc1)C)C)[O-]

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Molecular Weight: 357.84
Empirical Formula: C19H20ClN3O2

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.503
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 63
Number of rings: 3

     

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