General Information of the Compound
| Compound ID |
CP0578323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5094264
Show/Hide
|
||||||||||||||||||
| Formula |
C18H32N2O4
|
||||||||||||||||||
| Molecular Weight |
340.464
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H32N2O4/c1-12(2)14-6-8-15(9-7-14)24-11-17-16(19-18(22)23)5-4-10-20(17)13(3)21/h12,14-17,19H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYDOPBUNPNYVPH-YVSFHVDLSA-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 | |||||||||||||||||||
| 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