General Information of the Compound
Compound ID
CP0491859
Compound Name
4-N,6-N-bis(2,3-dihydro-1H-inden-2-yl)pyrido[3,4-d]pyrimidine-4,6-diamine
    Show/Hide
Structure
Formula
C25H23N5
Molecular Weight
393.494
Canonical SMILES
C1C(Cc2ccccc12)Nc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
    Show/Hide
InChI
InChI=1S/C25H23N5/c1-2-6-17-10-20(9-16(17)5-1)29-24-13-22-23(14-26-24)27-15-28-25(22)30-21-11-18-7-3-4-8-19(18)12-21/h1-8,13-15,20-21H,9-12H2,(H,26,29)(H,27,28,30)
    Show/Hide
InChIKey
PGMMCYICINXNRP-UHFFFAOYSA-N
Physicochemical Property
logP
4.1834
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44591994
ChEMBL ID
CHEMBL513018
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 = 31 nM
   TI
   LI
   LO
   TS