COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043161
Chemical Name: N-(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)-N,N-dimethyldodecan-1-aminium
Smiles: CCCCCCCCCCCC[N+](CCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

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Saltdata: Br-
Molecular Weight: 518.84
Empirical Formula: C33H60NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.383
Rotatable bonds: 18
H-donors: 1
H-acceptors: 3
PSA: 46
Number of rings: 1

     

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