General Information of the Compound
Compound ID
CP0485193
Compound Name
N-(1-methylindol-5-yl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-oxoacetamide
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Formula
C24H27N3O2
Molecular Weight
389.499
Canonical SMILES
Cc1ccc(CN2CCC(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1
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InChI
InChI=1S/C24H27N3O2/c1-17-3-5-18(6-4-17)16-27-13-10-19(11-14-27)23(28)24(29)25-21-7-8-22-20(15-21)9-12-26(22)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,25,29)
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InChIKey
LEXMGNANRUMEPN-UHFFFAOYSA-N
Physicochemical Property
logP
3.90652
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
54.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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
CHEMBL4868738
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 = 600 nM
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