General Information of the Compound
| Compound ID |
CP0535882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3S
|
||||||||||||||||||
| Molecular Weight |
333.46
|
||||||||||||||||||
| Canonical SMILES |
C(Cn1c(cc2ccccc12)-c1cccs1)NCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3S/c1-2-8-18-16(6-1)14-19(20-9-5-13-24-20)23(18)12-11-21-15-17-7-3-4-10-22-17/h1-10,13-14,21H,11-12,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XESHALHZSKFLSE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT00936, NT-3 growth factor receptor