General Information of the Compound
| Compound ID |
CP0520579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16F5N3O
|
||||||||||||||||||
| Molecular Weight |
385.336
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1Nc1ccc(cn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16F5N3O/c19-11-3-1-4-12(20)16(11)17(27)26-14-6-2-5-13(14)25-15-8-7-10(9-24-15)18(21,22)23/h1,3-4,7-9,13-14H,2,5-6H2,(H,24,25)(H,26,27)/t13-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFISIASDLKWICX-KBPBESRZSA-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