General Information of the Compound
Compound ID
CP0258338
Compound Name
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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Formula
C25H30N6O3
Molecular Weight
462.554
Canonical SMILES
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(C)c3)c(=O)n2c1
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InChI
InChI=1S/C25H30N6O3/c1-17(2)26-8-9-30(20-10-21(33-4)12-22(11-20)34-5)19-6-7-24-27-14-23(25(32)31(24)16-19)18-13-28-29(3)15-18/h6-7,10-17,26H,8-9H2,1-5H3
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InChIKey
HRSOTZFHFDXFAE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2483
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
85.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
34

"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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ChEMBL ID
CHEMBL4862576
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 = 0.57 nM
   TI
   LI
   LO
   TS
Protein ID: PT01115, Fibroblast growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 14.4 nM
   TI
   LI
   LO
   TS