General Information of the Compound
Compound ID
CP0858934
Compound Name
3-[(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenyl-N-(phenylmethyl)propanamide
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Formula
C30H34N2O
Molecular Weight
438.615
Canonical SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2
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InChI
InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t24-,27+,28-
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InChIKey
ABFWCAYAWMISPA-YBULGZATSA-N
Physicochemical Property
logP
5.552
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
33

"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
SID: 85253177
ChEMBL ID
CHEMBL2308786
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 = 596 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 = 545 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 = 839 nM
   TI
   LI
   LO
   TS