General Information of the Compound
Compound ID
CP0061480
Compound Name
2,6-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
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Structure
Formula
C24H30N2O
Molecular Weight
362.517
Canonical SMILES
CN1CC2CCC1(CC2)[C@H](NC(=O)c1c(C)cccc1C)c1ccccc1
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InChI
InChI=1S/C24H30N2O/c1-17-8-7-9-18(2)21(17)23(27)25-22(20-10-5-4-6-11-20)24-14-12-19(13-15-24)16-26(24)3/h4-11,19,22H,12-16H2,1-3H3,(H,25,27)/t19?,22-,24?/m1/s1
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InChIKey
AKEGKJWULBRQSD-HWDGFJGFSA-N
Physicochemical Property
logP
4.64894
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 57557335
ChEMBL ID
CHEMBL4228859
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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