General Information of the Compound
Compound ID
CP0525838
Compound Name
2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid (2-dimethylamino-ethyl)-ethyl-amide
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Structure
Formula
C23H35N5O
Molecular Weight
397.567
Canonical SMILES
CCN(CCN(C)C)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C23H35N5O/c1-8-19-21(22(29)26(9-2)11-10-25(6)7)28-13-12-27(23(28)24-19)20-17(4)14-16(3)15-18(20)5/h14-15H,8-13H2,1-7H3
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InChIKey
USBUDXCRXFLSOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.54616
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
44.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44390909
ChEMBL ID
CHEMBL181797
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 > 10000 nM
   TI
   LI
   LO
   TS