General Information of the Compound
| Compound ID |
CP0400056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S)-2-[[4-methoxy-3-(methoxymethyl)phenoxy]methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O4
|
||||||||||||||||||
| Molecular Weight |
418.493
|
||||||||||||||||||
| Canonical SMILES |
COCc1cc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)ccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O4/c1-29-16-18-14-20(11-12-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBTHHHMKVPOZQP-SQJMNOBHSA-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