General Information of the Compound
| Compound ID |
CP0494472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]-phenylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24O4
|
||||||||||||||||||
| Molecular Weight |
388.463
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC[C@]2(C[C@H]2C(=O)c2ccccc2)c2ccccc2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24O4/c1-27-22-14-13-20(15-23(22)28-2)29-17-25(19-11-7-4-8-12-19)16-21(25)24(26)18-9-5-3-6-10-18/h3-15,21H,16-17H2,1-2H3/t21-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWIARCNWRSBSQA-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