General Information of the Compound
Compound ID
CP0526009
Compound Name
2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid phenethyl-propyl-amide
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Structure
Formula
C28H36N4O
Molecular Weight
444.623
Canonical SMILES
CCCN(CCc1ccccc1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C28H36N4O/c1-6-14-30(15-13-23-11-9-8-10-12-23)27(33)26-24(7-2)29-28-31(16-17-32(26)28)25-21(4)18-20(3)19-22(25)5/h8-12,18-19H,6-7,13-17H2,1-5H3
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InChIKey
IYTKHYOKBNGDHJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.61736
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 20780036
ChEMBL ID
CHEMBL183639
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 220 nM
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