COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700667
Chemical Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
Smiles: O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1[nH]c2c(n1)cc(c(c2)C)C

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Saltdata: HBr
Molecular Weight: 424.61
Empirical Formula: C25H32N2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.011
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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