General Information of the Compound
| Compound ID |
CP0391768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3aS,6aR)-2-(5-chloro-1,3-benzoxazol-2-yl)-3a,6a-difluoro-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19ClF2N6O2
|
||||||||||||||||||
| Molecular Weight |
484.894
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19ClF2N6O2/c1-14-2-4-18(32-27-6-7-28-32)16(8-14)20(33)30-10-22(25)12-31(13-23(22,26)11-30)21-29-17-9-15(24)3-5-19(17)34-21/h2-9H,10-13H2,1H3/t22-,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBIJKRJHZSJILK-ZRZAMGCNSA-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