General Information of the Compound
| Compound ID |
CP0441414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (+/-)-2-Methyl-3-((3- dimethylamino)benzylamino)-N- (9-chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38ClN3O3
|
||||||||||||||||||
| Molecular Weight |
488.072
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cccc(c1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38ClN3O3/c1-19(2)17-31(18-22-13-24(28)26-25(14-22)33-10-7-11-34-26)27(32)20(3)15-29-16-21-8-6-9-23(12-21)30(4)5/h6,8-9,12-14,19-20,29H,7,10-11,15-18H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYHKHOPTUUTBNU-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