General Information of the Compound
Compound ID
CP0389054
Compound Name
2-ethoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
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Structure
Formula
C23H37N3O2
Molecular Weight
387.568
Canonical SMILES
CCOc1ccccc1C(=O)NCC1(CCCCC1)N1CCN(CC1)C(C)C
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InChI
InChI=1S/C23H37N3O2/c1-4-28-21-11-7-6-10-20(21)22(27)24-18-23(12-8-5-9-13-23)26-16-14-25(15-17-26)19(2)3/h6-7,10-11,19H,4-5,8-9,12-18H2,1-3H3,(H,24,27)
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InChIKey
QQURIRADMQBJKA-UHFFFAOYSA-N
Physicochemical Property
logP
3.544
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 56658576
ChEMBL ID
CHEMBL1823874
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 = 15.85 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 = 316.23 nM
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