General Information of the Compound
| Compound ID |
CP0541452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (-)-(3R)-1-(2-Ethyl-3- methylbenzyl)-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39ClN2O3
|
||||||||||||||||||
| Molecular Weight |
499.095
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(C)cccc1CN1CCC(C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39ClN2O3/c1-5-25-21(4)8-6-9-23(25)18-31-11-10-24(19-31)29(33)32(16-20(2)3)17-22-14-26(30)28-27(15-22)34-12-7-13-35-28/h6,8-9,14-15,20,24H,5,7,10-13,16-19H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPZQYQZCHLOZCA-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