General Information of the Compound
| Compound ID |
CP0864315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-methylthiophen-3-ylsulfonyl)-N-(quinolin-3-yl)-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O2S2
|
||||||||||||||||||
| Molecular Weight |
436.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1sccc1S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O2S2/c1-15-21(8-11-29-15)30(27,28)26-10-7-19-17(14-26)6-9-23-22(19)25-18-12-16-4-2-3-5-20(16)24-13-18/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMPMBJPXPFDBHM-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