General Information of the Compound
Compound ID
CP0876485
Compound Name
2,6-Di-tert-butyl-4-phenyltelluropyrylium Bromide
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Formula
C19H25BrTe
Molecular Weight
460.913
Canonical SMILES
CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)[te+]1.[Br-]
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InChI
InChI=1S/C19H25Te.BrH/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6;/h7-13H,1-6H3;1H/q+1;/p-1
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InChIKey
KFMGKMBLMBOBGU-UHFFFAOYSA-M
Physicochemical Property
logP
2.2907
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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ChEMBL ID
CHEMBL2087761
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
Km = 86000 nM
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