General Information of the Compound
| Compound ID |
CP0387966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[4-[(1R)-1-[(2S)-2-methylpyrrolidin-1-yl]pentyl]phenyl]phenyl]methyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N2
|
||||||||||||||||||
| Molecular Weight |
404.642
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGPMBWMVYGOTRT-NEKDWFFYSA-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: PT01711, Histamine H4 receptor