General Information of the Compound
Compound ID
CP0566086
Compound Name
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
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Structure
Formula
C22H18N4OS
Molecular Weight
386.48
Canonical SMILES
O=C(Cn1c(cc2ccccc12)-c1cccs1)NCc1cn2ccccc2n1
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InChI
InChI=1S/C22H18N4OS/c27-22(23-13-17-14-25-10-4-3-9-21(25)24-17)15-26-18-7-2-1-6-16(18)12-19(26)20-8-5-11-28-20/h1-12,14H,13,15H2,(H,23,27)
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InChIKey
ULDMDFPXNRGXSE-UHFFFAOYSA-N
Physicochemical Property
logP
4.3339
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
51.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 137657302
ChEMBL ID
CHEMBL4103215
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 = 218 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 = 71720 nM
   TI
   LI
   LO
   TS