General Information of the Compound
| Compound ID |
CP0875271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-Ethyl-N'-{3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropyl}urea
Show/Hide
|
||||||||||||||||||
| Formula |
C26H35N3O
|
||||||||||||||||||
| Molecular Weight |
405.586
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)NCC(C[C@H]1C[C@H]2CC[C@@H](C1)N2C)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t20-,23+,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSIVUDDVVOILTG-LQLSTCSOSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3