General Information of the Compound
Compound ID
CP0505469
Compound Name
2-methoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
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Structure
Formula
C22H29N3O2
Molecular Weight
367.493
Canonical SMILES
COc1ccccc1C(=O)NCC(N1CCN(C)CC1)c1ccc(C)cc1
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InChI
InChI=1S/C22H29N3O2/c1-17-8-10-18(11-9-17)20(25-14-12-24(2)13-15-25)16-23-22(26)19-6-4-5-7-21(19)27-3/h4-11,20H,12-16H2,1-3H3,(H,23,26)
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InChIKey
DCDYUJVUWIMBKK-UHFFFAOYSA-N
Physicochemical Property
logP
2.72212
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 16803385
ChEMBL ID
CHEMBL1823889
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: PT05165, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2511.89 nM
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Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19952.62 nM
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   LI
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   TS