General Information of the Compound
Compound ID
CP0526654
Compound Name
N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[3,4-d]pyrimidin-4-amine
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Synonyms
BDBM50278407
GTPL6351
PMID19289283C32
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Structure
Formula
C20H29N5O2
Molecular Weight
371.485
Canonical SMILES
C(CN1CCOCC1)Oc1cc2c(NC3CCCCCC3)ncnc2cn1
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InChI
InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)
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InChIKey
OGIVDFLCEHDQBN-UHFFFAOYSA-N
Physicochemical Property
logP
2.8705
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
72.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 11337722
SID: 16428500
ChEMBL ID
CHEMBL470396
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 = 6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID19289283C32 )
Drug Name PMID19289283C32
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
Modulator (allosteric modulator)