General Information of the Compound
Compound ID
CP0510068
Compound Name
1-(2-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yloxy)ethyl)pyrrolidin-2-one
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Structure
Formula
C19H25N5O2
Molecular Weight
355.442
Canonical SMILES
O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
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InChI
InChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23)
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InChIKey
QTADKBWBFMMERU-UHFFFAOYSA-N
Physicochemical Property
logP
2.7706
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
80.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 11451117
SID: 16550106
ChEMBL ID
CHEMBL471875
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 = 20 nM
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