COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011926
Chemical Name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl(1,3-benzothiazol-2-ylsulfanyl)acetate
Smiles: O=C(CSc1nc2c(s1)cccc2)OCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

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Molecular Weight: 471.68
Empirical Formula: C26H33NO3S2

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 8.536
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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