General Information of the Compound
Compound ID
CP0467765
Compound Name
N,N-dimethyl-4-(5-spiro[5.5]undecan-3-ylpentoxy)benzamide
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Structure
Formula
C25H39NO2
Molecular Weight
385.592
Canonical SMILES
CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CCCCC3)CC2)cc1
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InChI
InChI=1S/C25H39NO2/c1-26(2)24(27)22-10-12-23(13-11-22)28-20-8-3-5-9-21-14-18-25(19-15-21)16-6-4-7-17-25/h10-13,21H,3-9,14-20H2,1-2H3
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InChIKey
HFRWHYBXIUUBPU-UHFFFAOYSA-N
Physicochemical Property
logP
6.4683
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 145976366
ChEMBL ID
CHEMBL4205711
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 27 nM
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