General Information of the Compound
| Compound ID |
CP0440553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpiperidine-3- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N2O4
|
||||||||||||||||||
| Molecular Weight |
466.622
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN1CCCC(C1)C(=O)N(CC(C)C)Cc1ccc2OCCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N2O4/c1-21(2)17-30(18-22-11-12-26-27(16-22)34-15-7-14-33-26)28(31)24-9-6-13-29(20-24)19-23-8-4-5-10-25(23)32-3/h4-5,8,10-12,16,21,24H,6-7,9,13-15,17-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZBOTEPSAITNQM-UHFFFAOYSA-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: PT00629, Prokineticin receptor 1
Protein ID: PT00615, Prokineticin receptor 2