General Information of the Compound
Compound ID
CP0535884
Compound Name
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
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Structure
Formula
C24H20N4OS
Molecular Weight
412.518
Canonical SMILES
O=C(Cn1c(cc2ccccc12)-c1cccs1)NCc1ncc([nH]1)-c1ccccc1
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InChI
InChI=1S/C24H20N4OS/c29-24(26-15-23-25-14-19(27-23)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/h1-14H,15-16H2,(H,25,27)(H,26,29)
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InChIKey
MGYZMBWNGIKJEE-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).

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PubChem ID
CID: 137653271
ChEMBL ID
CHEMBL4093738
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 = 210 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