General Information of the Compound
Compound ID
CP0526652
Compound Name
2,2'-(pyrido[3,4-d]pyrimidine-4,6-diylbis(azanediyl))diethanol
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Structure
Formula
C11H15N5O2
Molecular Weight
249.274
Canonical SMILES
OCCNc1cc2c(NCCO)ncnc2cn1
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InChI
InChI=1S/C11H15N5O2/c17-3-1-12-10-5-8-9(6-14-10)15-7-16-11(8)13-2-4-18/h5-7,17-18H,1-4H2,(H,12,14)(H,13,15,16)
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InChIKey
QDHZKJSREPUASQ-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1668
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
103.19
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
18

"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: 44591993
ChEMBL ID
CHEMBL510310
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6150 nM
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