General Information of the Compound
Compound ID
CP0896082
Compound Name
8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylfuran-2-yl)methyl(phenyl)carbamate
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Formula
C21H26N2O3
Molecular Weight
354.45
Canonical SMILES
Cc1ccoc1CN(C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1
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InChI
InChI=1S/C21H26N2O3/c1-15-10-11-25-20(15)14-23(16-6-4-3-5-7-16)21(24)26-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3/t17-,18+,19-
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InChIKey
BGECMWFZHVFBGB-REPLKXPHSA-N
Physicochemical Property
logP
4.35642
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
45.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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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ChEMBL ID
CHEMBL3085088
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 349.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 467.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 428.3 nM
   TI
   LI
   LO
   TS