General Information of the Compound
Compound ID
CP0470508
Compound Name
N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
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Structure
Formula
C22H26N2O
Molecular Weight
334.463
Canonical SMILES
Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2
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InChI
InChI=1S/C22H26N2O/c1-15-7-6-8-16(2)19(15)21(25)23-20(17-9-4-3-5-10-17)22-13-11-18(24-22)12-14-22/h3-10,18,20,24H,11-14H2,1-2H3,(H,23,25)
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InChIKey
LMVLUIGCBTZPJK-UHFFFAOYSA-N
Physicochemical Property
logP
4.05914
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 46862338
SID: 99290387
ChEMBL ID
CHEMBL4227145
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 = 58 nM
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