General Information of the Compound
Compound ID
CP0553709
Compound Name
4-N-(2,3-dihydro-1H-inden-2-yl)-4-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
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Structure
Formula
C18H19N5
Molecular Weight
305.385
Canonical SMILES
CNc1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1
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InChI
InChI=1S/C18H19N5/c1-19-17-9-15-16(10-20-17)21-11-22-18(15)23(2)14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,19,20)
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InChIKey
BMOFSKQJIBZZKW-UHFFFAOYSA-N
Physicochemical Property
logP
2.6701
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
53.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44591864
ChEMBL ID
CHEMBL472489
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 = 54 nM
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