General Information of the Compound
| Compound ID |
CP0523880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F3N2O4
|
||||||||||||||||||
| Molecular Weight |
410.392
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Oc1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F3N2O4/c1-27-15-7-4-8-16(28-2)18(15)19(26)25-13-5-3-6-14(13)29-17-11-12(9-10-24-17)20(21,22)23/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,25,26)/t13-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKRBWAZFNAWXQZ-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