COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663417
Chemical Name: 4-{[(E)-(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Ic1cc(/C=N/c2c(=O)n(n(c2C)C)c2ccccc2)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 478.25
Empirical Formula: C18H15IN4O4

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 3.78
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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