COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483929
Chemical Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone
Smiles: O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CNC1=NCCCCC1

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Saltdata: HCI
Molecular Weight: 358.52
Empirical Formula: C22H34N2O2

Available Amount: 0 mg

Lipinsky:
logP: 6.353
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 61
Number of rings: 2

     

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