General Information of the Compound
| Compound ID |
CP0406201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}1,3-benzoxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N6O2
|
||||||||||||||||||
| Molecular Weight |
416.485
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZACJKMOEFBPFHF-QGZVFWFLSA-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