COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171000
Chemical Name: (4E)-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N1N=C(/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/C1=O)C

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Molecular Weight: 404.55
Empirical Formula: C26H32N2O2

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 6.614
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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