General Information of the Compound
| Compound ID |
CP0415024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[(8S)-1-chloro-3-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
519.011
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClF3N4O/c1-3-7-22-33-25(28)24-21(15-12-18-10-13-20(14-11-18)27(29,30)31)34(16-17-35(22)24)23(26(36)32-2)19-8-5-4-6-9-19/h4-6,8-11,13-14,21,23H,3,7,12,15-17H2,1-2H3,(H,32,36)/t21-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
REJYHJFIVUAENV-JTHBVZDNSA-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