General Information of the Compound
Compound ID
CP0423347
Compound Name
N-(1H-indol-5-yl)-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
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Structure
Formula
C22H23N3O3
Molecular Weight
377.444
Canonical SMILES
Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1
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InChI
InChI=1S/C22H23N3O3/c1-15-2-5-18(6-3-15)28-19-9-12-25(13-10-19)22(27)21(26)24-17-4-7-20-16(14-17)8-11-23-20/h2-8,11,14,19,23H,9-10,12-13H2,1H3,(H,24,26)
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InChIKey
SBDHBDVSWQWCQS-UHFFFAOYSA-N
Physicochemical Property
logP
3.48482
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
74.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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
CID: 76852374
ChEMBL ID
CHEMBL4855193
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
EC50 = 260 nM
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