General Information of the Compound
| Compound ID |
CP0538185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (-)-(R)-3-(1-Benzylpyrrolidin-2- yl)-N-(9-chloro-3,4-dihydro-2H- 1,5-benzodioxepin-7-ylmethyl)- N-isobutylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37ClN2O3
|
||||||||||||||||||
| Molecular Weight |
485.068
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)CC[C@@H]1CCCN1Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37ClN2O3/c1-21(2)18-31(20-23-16-25(29)28-26(17-23)33-14-7-15-34-28)27(32)12-11-24-10-6-13-30(24)19-22-8-4-3-5-9-22/h3-5,8-9,16-17,21,24H,6-7,10-15,18-20H2,1-2H3/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFWRPJIEMPMMJA-DEOSSOPVSA-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