General Information of the Compound
Compound ID
CP0924769
Compound Name
2-tert-butyl-4,6-bis(4-(dimethylamino)phenyl)telluropyrylium bromide
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Formula
C25H31BrN2Te
Molecular Weight
567.041
Canonical SMILES
CN(C)c1ccc(-c2cc(-c3ccc(N(C)C)cc3)[te+]c(C(C)(C)C)c2)cc1.[Br-]
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InChI
InChI=1S/C25H31N2Te.BrH/c1-25(2,3)24-17-20(18-8-12-21(13-9-18)26(4)5)16-23(28-24)19-10-14-22(15-11-19)27(6)7;/h8-17H,1-7H3;1H/q+1;/p-1
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InChIKey
NYAKTUMSXWXRJK-UHFFFAOYSA-M
Physicochemical Property
logP
2.7922
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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
CHEMBL2087758
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 = 56000 nM
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