COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036751
Chemical Name: 4-{(E)-[(4-benzylpiperazin-4-ium-1-yl)imino]methyl}-2,6-di-tert-butylphenolate
Smiles: CC(c1cc(/C=N/N2CC[NH+](CC2)Cc2ccccc2)cc(c1[O-])C(C)(C)C)(C)C

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Molecular Weight: 407.6
Empirical Formula: C26H37N3O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.746
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 43
Number of rings: 3

     

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