General Information of the Compound
Compound ID
CP0458601
Compound Name
2-(5-fluoro-2-phenylindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
    Show/Hide
Structure
Formula
C22H18FN3O
Molecular Weight
359.404
Canonical SMILES
Fc1ccc2n(CC(=O)NCc3ccccn3)c(cc2c1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H18FN3O/c23-18-9-10-20-17(12-18)13-21(16-6-2-1-3-7-16)26(20)15-22(27)25-14-19-8-4-5-11-24-19/h1-13H,14-15H2,(H,25,27)
    Show/Hide
InChIKey
UXFSFDLEUWWWLP-UHFFFAOYSA-N
Physicochemical Property
logP
4.1588
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 137655709
ChEMBL ID
CHEMBL4095893
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 880 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
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 > 81010 nM
   TI
   LI
   LO
   TS