General Information of the Compound
Compound ID
CP0492437
Compound Name
2-(2,6-dimethylpyridin-4-yl)-6-piperidin-4-yl-9H-carbazole
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Structure
Formula
C24H25N3
Molecular Weight
355.485
Canonical SMILES
Cc1cc(cc(C)n1)-c1ccc2c(c1)[nH]c1ccc(cc21)C1CCNCC1
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InChI
InChI=1S/C24H25N3/c1-15-11-20(12-16(2)26-15)19-3-5-21-22-13-18(17-7-9-25-10-8-17)4-6-23(22)27-24(21)14-19/h3-6,11-14,17,25,27H,7-10H2,1-2H3
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InChIKey
MEOZJENUDOYMMU-UHFFFAOYSA-N
Physicochemical Property
logP
5.46694
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
27

"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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PubChem ID
CID: 156212569
ChEMBL ID
CHEMBL4856345
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000686 HEK-Blue hTLR7 Homo sapiens (Human)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000381 HEK-Blue hTLR8 Homo sapiens (Human)  1
1
IC50 = 103 nM
   TI
   LI
   LO
   TS
Protein ID: PT01922, Toll-like receptor 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000685 HEK-Blue hTLR9 Homo sapiens (Human)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS