General Information of the Compound
| Compound ID |
CP0441635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 2-[(2R,5R)-5-(4-cyanopyridin-2-yl)oxy-2-methylpiperidine-1-carbonyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O4
|
||||||||||||||||||
| Molecular Weight |
407.47
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1cc(ccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O4/c1-15(2)29-23(28)20-7-5-4-6-19(20)22(27)26-14-18(9-8-16(26)3)30-21-12-17(13-24)10-11-25-21/h4-7,10-12,15-16,18H,8-9,14H2,1-3H3/t16-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMPQSDXQWBEHBP-SJLPKXTDSA-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