General Information of the Compound
| Compound ID |
CP0422148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[2-(pyridin-4-ylmethylamino)ethyl]benzimidazol-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H27N5O
|
||||||||||||||||||
| Molecular Weight |
425.536
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1c(CCNCc2ccncc2)nc2ccccc12)Nc1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N5O/c32-26(29-22-9-8-20-4-3-5-21(20)16-22)18-31-24-7-2-1-6-23(24)30-25(31)12-15-28-17-19-10-13-27-14-11-19/h1-2,6-11,13-14,16,28H,3-5,12,15,17-18H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDIJDOKEQHBJGH-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 | |||||||||||||||||||
| 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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2