General Information of the Compound
Compound ID
CP0920244
Compound Name
N-{3-[(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropyl}acetamide
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Formula
C25H32N2O
Molecular Weight
376.544
Canonical SMILES
CC(=O)NCC(C[C@H]1C[C@H]2CC[C@@H](C1)N2C)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H32N2O/c1-19(28)26-18-25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)17-20-15-23-13-14-24(16-20)27(23)2/h3-12,20,23-24H,13-18H2,1-2H3,(H,26,28)/t20-,23+,24-
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InChIKey
HNHGRDMXIHUIFC-LQLSTCSOSA-N
Physicochemical Property
logP
4.3717
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 85253436
ChEMBL ID
CHEMBL3084674
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 = 2198 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 = 3478 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 = 2895 nM
   TI
   LI
   LO
   TS