General Information of the Compound
Compound ID
CP0877727
Compound Name
2,6-bis(4-morpholinophenyl)-4-phenyltelluropyrylium hexafluorophosphate (V)
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Formula
C31H31F6N2O2PTe
Molecular Weight
736.163
Canonical SMILES
F[P-](F)(F)(F)(F)F.c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)[te+]c(-c3ccc(N4CCOCC4)cc3)c2)cc1
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InChI
InChI=1S/C31H31N2O2Te.F6P/c1-2-4-24(5-3-1)27-22-30(25-6-10-28(11-7-25)32-14-18-34-19-15-32)36-31(23-27)26-8-12-29(13-9-26)33-16-20-35-21-17-33;1-7(2,3,4,5)6/h1-13,22-23H,14-21H2;/q+1;-1
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InChIKey
QWWREWMGOWSZCN-UHFFFAOYSA-N
Physicochemical Property
logP
9.0813
Rotatable Bonds
5
Heavy Atom Count
43
Polar Areas
24.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
43

"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
CHEMBL2087780
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 = 24300 nM
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   LI
   LO
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