COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396082
Chemical Name: 1-ethyl-4-{(1E,3E)-3-(4-iodophenyl)-3-[2-(4-nitrophenyl)hydrazinylidene]prop-1-en-1-yl}-3-methyl-1H-pyrazole
Smiles: CCn1nc(c(c1)/C=C/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)I)C

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Molecular Weight: 501.33
Empirical Formula: C21H20IN5O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.696
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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