General Information of the Compound
Compound ID
CP0510927
Compound Name
[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
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Structure
Formula
C20H17FN4O
Molecular Weight
348.381
Canonical SMILES
OCc1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
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InChI
InChI=1S/C20H17FN4O/c21-17-3-1-2-15(10-17)11-22-19-8-9-20-23-12-18(25(20)24-19)16-6-4-14(13-26)5-7-16/h1-10,12,26H,11,13H2,(H,22,24)
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InChIKey
SBPLDFJEHNVMNC-UHFFFAOYSA-N
Physicochemical Property
logP
3.6398
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
62.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 122179543
ChEMBL ID
CHEMBL3582431
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: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 76 nM
   TI
   LI
   LO
   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 40 nM
   TI
   LI
   LO
   TS