General Information of the Compound
Compound ID
CP0502914
Compound Name
(R)-quinuclidin-3-yl pentyl(phenyl)carbamate
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Structure
Formula
C19H28N2O2
Molecular Weight
316.445
Canonical SMILES
CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
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InChI
InChI=1S/C19H28N2O2/c1-2-3-7-12-21(17-8-5-4-6-9-17)19(22)23-18-15-20-13-10-16(18)11-14-20/h4-6,8-9,16,18H,2-3,7,10-15H2,1H3/t18-/m0/s1
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InChIKey
SRSDGJOKLMADHL-SFHVURJKSA-N
Physicochemical Property
logP
3.914
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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).

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PubChem ID
CID: 9944783
SID: 14919193
ChEMBL ID
CHEMBL1779037
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 13.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.7 nM
   TI
   LI
   LO
   TS