General Information of the Compound
Compound ID
CP0494553
Compound Name
2-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
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Structure
Formula
C19H28N2O3
Molecular Weight
332.444
Canonical SMILES
COc1ccccc1C(=O)NCC1(CCCCC1)N1CCOCC1
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InChI
InChI=1S/C19H28N2O3/c1-23-17-8-4-3-7-16(17)18(22)20-15-19(9-5-2-6-10-19)21-11-13-24-14-12-21/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,20,22)
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InChIKey
WZYQORXWYLNCGU-UHFFFAOYSA-N
Physicochemical Property
logP
2.4601
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 16015637
ChEMBL ID
CHEMBL1332972
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: 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 = 50118.72 nM
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