General Information of the Compound
Compound ID
CP0577915
Compound Name
3,4-difluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
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Formula
C22H20F2N6O3
Molecular Weight
454.437
Canonical SMILES
CNC(=O)c1cc(F)c(F)c(c1)-c1cnc2cc(-c3cnn(C)c3)c(O[C@H]3CCOC3)nn12
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InChI
InChI=1S/C22H20F2N6O3/c1-25-21(31)12-5-16(20(24)17(23)6-12)18-9-26-19-7-15(13-8-27-29(2)10-13)22(28-30(18)19)33-14-3-4-32-11-14/h5-10,14H,3-4,11H2,1-2H3,(H,25,31)/t14-/m0/s1
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InChIKey
NZHANKJSPAJGFW-AWEZNQCLSA-N
Physicochemical Property
logP
2.6023
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
95.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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).

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ChEMBL ID
CHEMBL5174279
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: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT06924, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS