COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367171
Chemical Name: nitrilotriethane-2,1-diyltris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
Smiles: O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCN(CCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

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Molecular Weight: 930.32
Empirical Formula: C57H87NO9

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 15.033
Rotatable bonds: 18
H-donors: 3
H-acceptors: 9
PSA: 142
Number of rings: 3

     

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