General Information of the Compound
Compound ID
CP0457123
Compound Name
N-[(2-phenyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
    Show/Hide
Structure
Formula
C24H20N4OS
Molecular Weight
412.518
Canonical SMILES
O=C(Cn1c(cc2ccccc12)-c1cccs1)NCc1c[nH]c(n1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C24H20N4OS/c29-23(25-14-19-15-26-24(27-19)17-7-2-1-3-8-17)16-28-20-10-5-4-9-18(20)13-21(28)22-11-6-12-30-22/h1-13,15H,14,16H2,(H,25,29)(H,26,27)
    Show/Hide
InChIKey
YFIBEKZZXUQKCM-UHFFFAOYSA-N
Physicochemical Property
logP
5.0763
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
62.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 137649400
ChEMBL ID
CHEMBL4078944
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 = 3388 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