COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033053
Chemical Name: 2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylicacid
Smiles: O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1ncccc1C(=O)O

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Molecular Weight: 398.44
Empirical Formula: C19H18N4O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 0.693
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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