General Information of the Compound
| Compound ID |
CP0443726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3N5O
|
||||||||||||||||||
| Molecular Weight |
415.419
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2cccn2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3N5O/c22-21(23,24)14-9-10-19(25-13-14)27-16-6-3-7-17(16)28-20(30)15-5-1-2-8-18(15)29-12-4-11-26-29/h1-2,4-5,8-13,16-17H,3,6-7H2,(H,25,27)(H,28,30)/t16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMHILWNARCKYLW-IRXDYDNUSA-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