General Information of the Compound
| Compound ID |
CP0688297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{2-[5-(quinolin-3-ylamino)-3,4-dihydro-1H-[2,6]naphthyridin-2-yl]-ethyl}-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O
|
||||||||||||||||||
| Molecular Weight |
396.494
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O/c30-22-7-5-18(6-8-22)10-13-29-14-11-23-20(17-29)9-12-26-25(23)28-21-15-19-3-1-2-4-24(19)27-16-21/h1-9,12,15-16,30H,10-11,13-14,17H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTNXEOHLLDTQPN-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: PT01099, Fatty-acid amide hydrolase 1
Protein ID: PT00961, Fatty-acid amide hydrolase 1