General Information of the Compound
Compound ID
CP0523684
Compound Name
[2-(cyclohexylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
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Structure
Formula
C19H23N5O2
Molecular Weight
353.426
Canonical SMILES
Cc1ncc(CO)c2c(Nc3cnccn3)c(NC3CCCCC3)oc12
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InChI
InChI=1S/C19H23N5O2/c1-12-18-16(13(11-25)9-22-12)17(24-15-10-20-7-8-21-15)19(26-18)23-14-5-3-2-4-6-14/h7-10,14,23,25H,2-6,11H2,1H3,(H,21,24)
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InChIKey
LPQNCRVAOVMVAB-UHFFFAOYSA-N
Physicochemical Property
logP
3.90672
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
96.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 70676949
SID: 160642103
ChEMBL ID
CHEMBL2177870
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: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 10580 nM
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