General Information of the Compound
Compound ID
CP0561785
Compound Name
N-[(1-methylindol-5-yl)methyl]-4-(4-methylphenoxy)benzamide
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Formula
C24H22N2O2
Molecular Weight
370.452
Canonical SMILES
Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccc3n(C)ccc3c2)cc1
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InChI
InChI=1S/C24H22N2O2/c1-17-3-8-21(9-4-17)28-22-10-6-19(7-11-22)24(27)25-16-18-5-12-23-20(15-18)13-14-26(23)2/h3-15H,16H2,1-2H3,(H,25,27)
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InChIKey
VVJJZBNAIRPCPG-UHFFFAOYSA-N
Physicochemical Property
logP
5.20902
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
43.26
Hydrogen Bond Donor Count
1
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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ChEMBL ID
CHEMBL4859529
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 = 40 nM
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