General Information of the Compound
| Compound ID |
CP0542616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (+/-)-4-Benzyl-N-(3,4-dihydro- 2H-1,5-dioxepino-[2,3-b]pyridin- 8-ylmethyl)-N- isobutylmorpholine-2- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N3O4
|
||||||||||||||||||
| Molecular Weight |
439.556
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(Cc1cnc2OCCCOc2c1)C(=O)C1CN(Cc2ccccc2)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N3O4/c1-19(2)15-28(17-21-13-22-24(26-14-21)32-11-6-10-30-22)25(29)23-18-27(9-12-31-23)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,23H,6,9-12,15-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWJIAGILNWVMDU-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