General Information of the Compound
| Compound ID |
CP0466289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N3O4
|
||||||||||||||||||
| Molecular Weight |
455.514
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC[C@@H]1c1ccc2OCCOc2c1)c1ccc(OCc2cn3ccccc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N3O4/c31-27(30-13-3-4-23(30)20-8-11-24-25(16-20)33-15-14-32-24)19-6-9-22(10-7-19)34-18-21-17-29-12-2-1-5-26(29)28-21/h1-2,5-12,16-17,23H,3-4,13-15,18H2/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBPIAXMCZFXMHK-HSZRJFAPSA-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