COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143121
Chemical Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/NC1CC(C)(C)NC(C1)(C)C

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Molecular Weight: 399.49
Empirical Formula: C21H29N5O3

Physical State: Dry powder
Available Amount: 496 mg

Lipinsky:
logP: 3.418
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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