General Information of the Compound
| Compound ID |
CP0387519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N2O2
|
||||||||||||||||||
| Molecular Weight |
326.44
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccn(C)c(=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N2O2/c1-16-5-3-11-22(16)12-4-14-24-19-8-6-17(7-9-19)18-10-13-21(2)20(23)15-18/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJLMTCGYPBTHBH-MRXNPFEDSA-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