General Information of the Compound
Compound ID
CP0431254
Compound Name
2-ethoxy-N-[(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methyl]benzamide
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Structure
Formula
C24H30N2O2
Molecular Weight
378.516
Canonical SMILES
CCOc1ccccc1C(=O)NCC1(Cc2ccccc2C1)N1CCCCC1
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InChI
InChI=1S/C24H30N2O2/c1-2-28-22-13-7-6-12-21(22)23(27)25-18-24(26-14-8-3-9-15-26)16-19-10-4-5-11-20(19)17-24/h4-7,10-13H,2-3,8-9,14-18H2,1H3,(H,25,27)
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InChIKey
XEVQOZLKZWXEIC-UHFFFAOYSA-N
Physicochemical Property
logP
3.8386
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
41.57
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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PubChem ID
CID: 56679228
ChEMBL ID
CHEMBL1823676
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 = 15848.93 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 = 39810.72 nM
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