General Information of the Compound
Compound ID
CP0526368
Compound Name
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide
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Structure
Formula
C23H30N2O2
Molecular Weight
366.505
Canonical SMILES
CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(C)o1
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InChI
InChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26)
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InChIKey
HGOOAHFAWANHJW-UHFFFAOYSA-N
Physicochemical Property
logP
4.55036
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 46852464
SID: 99241530
ChEMBL ID
CHEMBL4226364
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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1 nM
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