COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK750456
Chemical Name: (4E)-5-methyl-2-(2-methylphenyl)-4-{[(4-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1C

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Molecular Weight: 336.35
Empirical Formula: C18H16N4O3

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 3.131
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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