General Information of the Compound
| Compound ID |
CP0394695
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
phenyl 2-[[8-[(2R)-2-aminopropyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl]methoxy]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO5
|
||||||||||||||||||
| Molecular Weight |
383.444
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYCCUZBPGUYMNP-CQSZACIVSA-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C