General Information of the Compound
| Compound ID |
CP0375625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[(8S)-1-chloro-3-cyclopropyl-8-[2-[3-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
516.995
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-7-3-2-4-8-18)34-14-15-35-23(24(28)33-25(35)19-11-12-19)21(34)13-10-17-6-5-9-20(16-17)27(29,30)31/h2-9,16,19,21-22H,10-15H2,1H3,(H,32,36)/t21-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJBYRMRJSSUJAN-FCHUYYIVSA-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