General Information of the Compound
| Compound ID |
CP0501201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-quinuclidin-3-yl bis(thiophen-2-ylmethyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N2O2S2
|
||||||||||||||||||
| Molecular Weight |
362.52
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2O2S2/c21-18(22-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-23-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRZIYMYSNOVVOK-KRWDZBQOSA-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