COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK979994
Chemical Name: (4Z)-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc2c(c1)cccc2

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Molecular Weight: 440.59
Empirical Formula: C29H32N2O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.384
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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