General Information of the Compound
| Compound ID |
CP0483954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 117
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClF3N6O2
|
||||||||||||||||||
| Molecular Weight |
466.851
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(Cl)ccc2-n2nccn2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClF3N6O2/c21-12-4-6-17(30-26-8-9-27-30)14(10-12)19(31)29-16-3-1-2-15(16)28-18-7-5-13(11-25-18)32-20(22,23)24/h4-11,15-16H,1-3H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJJDIYAPAYTFEJ-HOTGVXAUSA-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