General Information of the Compound
Compound ID
CP0486956
Compound Name
[7-methyl-2-(pentan-2-ylamino)-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
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Structure
Formula
C19H24N4O2
Molecular Weight
340.427
Canonical SMILES
CCCC(C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
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InChI
InChI=1S/C19H24N4O2/c1-4-7-12(2)22-19-17(23-15-8-5-6-9-20-15)16-14(11-24)10-21-13(3)18(16)25-19/h5-6,8-10,12,22,24H,4,7,11H2,1-3H3,(H,20,23)
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InChIKey
MRXMCFCNYKAXNF-UHFFFAOYSA-N
Physicochemical Property
logP
4.36762
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
83.21
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 70677266
SID: 160642452
ChEMBL ID
CHEMBL2177878
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 = 9010 nM
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