COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567583
Chemical Name: 3-(benzylammonio)-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)[NH2+]Cc1ccccc1

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Molecular Weight: 408.46
Empirical Formula: C22H24N4O4

Physical State: Dry powder
Available Amount: 201 mg

Lipinsky:
logP: 2.019
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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