COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065050
Chemical Name: (4E)-4-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 499.57
Empirical Formula: C29H29N3O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 6.75
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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