General Information of the Compound
Compound ID
CP0457124
Compound Name
2-(2-phenylindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
    Show/Hide
Structure
Formula
C22H19N3O
Molecular Weight
341.414
Canonical SMILES
O=C(Cn1c(cc2ccccc12)-c1ccccc1)NCc1ccccn1
    Show/Hide
InChI
InChI=1S/C22H19N3O/c26-22(24-15-19-11-6-7-13-23-19)16-25-20-12-5-4-10-18(20)14-21(25)17-8-2-1-3-9-17/h1-14H,15-16H2,(H,24,26)
    Show/Hide
InChIKey
LHKSZDXILCOKIZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0197
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9206007
ChEMBL ID
CHEMBL4085857
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 = 1424 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 = 25960 nM
   TI
   LI
   LO
   TS