General Information of the Compound
Compound ID
CP0393458
Compound Name
2-Cyclopentyl-2-hydroxy-N-[1-(2-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
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Structure
Formula
C26H34N2O2
Molecular Weight
406.57
Canonical SMILES
Cc1ccccc1CN1CCC(CC1)NC(=O)C(O)(C1CCCC1)c1ccccc1
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InChI
InChI=1S/C26H34N2O2/c1-20-9-5-6-10-21(20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-13-7-8-14-23)22-11-3-2-4-12-22/h2-6,9-12,23-24,30H,7-8,13-19H2,1H3,(H,27,29)
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InChIKey
KRCWDAGTDHZOFY-UHFFFAOYSA-N
Physicochemical Property
logP
4.15362
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
52.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 10501523
SID: 15526523
ChEMBL ID
CHEMBL148310
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
Ki = 1200 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
Ki = 37000 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
Ki = 220 nM
   TI
   LI
   LO
   TS