General Information of the Compound
Compound ID
CP0524450
Compound Name
2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid phenylamide
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Structure
Formula
C23H26N4O
Molecular Weight
374.488
Canonical SMILES
CCc1nc2N(CCn2c1C(=O)Nc1ccccc1)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C23H26N4O/c1-5-19-21(22(28)24-18-9-7-6-8-10-18)27-12-11-26(23(27)25-19)20-16(3)13-15(2)14-17(20)4/h6-10,13-14H,5,11-12H2,1-4H3,(H,24,28)
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InChIKey
VPVMFDOUFLURLY-UHFFFAOYSA-N
Physicochemical Property
logP
4.77476
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44391046
ChEMBL ID
CHEMBL178577
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