General Information of the Compound
| Compound ID |
CP0548004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N-propyl pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31ClN2O3
|
||||||||||||||||||
| Molecular Weight |
442.987
|
||||||||||||||||||
| Canonical SMILES |
CCCN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31ClN2O3/c1-2-10-28(17-20-14-22(26)24-23(15-20)30-12-6-13-31-24)25(29)21-9-11-27(18-21)16-19-7-4-3-5-8-19/h3-5,7-8,14-15,21H,2,6,9-13,16-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZPOQVDLQZKWIP-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