General Information of the Compound
Compound ID
CP0457116
Compound Name
2-[2-(5-methylfuran-2-yl)indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
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Structure
Formula
C21H19N3O2
Molecular Weight
345.402
Canonical SMILES
Cc1ccc(o1)-c1cc2ccccc2n1CC(=O)NCc1ccccn1
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InChI
InChI=1S/C21H19N3O2/c1-15-9-10-20(26-15)19-12-16-6-2-3-8-18(16)24(19)14-21(25)23-13-17-7-4-5-11-22-17/h2-12H,13-14H2,1H3,(H,23,25)
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InChIKey
COXZOGYEXZWLMM-UHFFFAOYSA-N
Physicochemical Property
logP
3.92112
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
60.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 137658125
ChEMBL ID
CHEMBL4103855
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 = 12970 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 = 73070 nM
   TI
   LI
   LO
   TS