General Information of the Compound
Compound ID
CP0854413
Compound Name
8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(phenyl)carbamate
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Formula
C22H26N2O2
Molecular Weight
350.462
Canonical SMILES
CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2
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InChI
InChI=1S/C22H26N2O2/c1-23-19-12-13-20(23)15-21(14-19)26-22(25)24(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3/t19-,20+,21-
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InChIKey
BCHOSNDXBYSKLO-WKCHPHFGSA-N
Physicochemical Property
logP
4.455
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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
CHEMBL3085076
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 = 161.3 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 = 253.8 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 = 74.5 nM
   TI
   LI
   LO
   TS