General Information of the Compound
Compound ID
CP0480858
Compound Name
[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
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Structure
Formula
C18H22N4O2
Molecular Weight
326.4
Canonical SMILES
CCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
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InChI
InChI=1S/C18H22N4O2/c1-3-4-8-20-18-16(22-14-7-5-6-9-19-14)15-13(11-23)10-21-12(2)17(15)24-18/h5-7,9-10,20,23H,3-4,8,11H2,1-2H3,(H,19,22)
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InChIKey
HPOVZKINFZDUHI-UHFFFAOYSA-N
Physicochemical Property
logP
3.97912
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
83.21
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 70677263
SID: 160642449
ChEMBL ID
CHEMBL2177875
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 = 9380 nM
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