General Information of the Compound
Compound ID
CP0492019
Compound Name
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
    Show/Hide
Formula
C24H32N4O5
Molecular Weight
456.543
Canonical SMILES
COCCOc1cnc2ccc(cn2c1=O)N(CCNC(C)C)c1cc(OC)cc(OC)c1
    Show/Hide
InChI
InChI=1S/C24H32N4O5/c1-17(2)25-8-9-27(19-12-20(31-4)14-21(13-19)32-5)18-6-7-23-26-15-22(33-11-10-30-3)24(29)28(23)16-18/h6-7,12-17,25H,8-11H2,1-5H3
    Show/Hide
InChIKey
YOAFPVWFMQTDJF-UHFFFAOYSA-N
Physicochemical Property
logP
2.873
Rotatable Bonds
12
Heavy Atom Count
33
Polar Areas
86.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
33

"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
ChEMBL ID
CHEMBL4856522
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: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100 nM
   TI
   LI
   LO
   TS