General Information of the Compound
| Compound ID |
CP0549926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20F3N5O2
|
||||||||||||||||||
| Molecular Weight |
395.385
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(cn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N5O2/c1-2-28-13-7-4-8-22-16(13)17(27)26-12-6-3-5-11(12)25-15-10-23-14(9-24-15)18(19,20)21/h4,7-12H,2-3,5-6H2,1H3,(H,24,25)(H,26,27)/t11-,12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNOCWCFKRCVLND-RYUDHWBXSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1