General Information of the Compound
| Compound ID |
CP0417486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O3
|
||||||||||||||||||
| Molecular Weight |
369.465
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNWBLSUDQWDOPY-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor