General Information of the Compound
Compound ID
CP0445484
Compound Name
7-(2-Bromo-4-isopropyl-phenyl)-2-ethyl-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
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Structure
Formula
C24H33BrN4O
Molecular Weight
473.459
Canonical SMILES
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1ccc(cc1Br)C(C)C
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InChI
InChI=1S/C24H33BrN4O/c1-5-11-27(15-17-7-8-17)23(30)22-20(6-2)26-24-28(12-13-29(22)24)21-10-9-18(16(3)4)14-19(21)25/h9-10,14,16-17H,5-8,11-13,15H2,1-4H3
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InChIKey
AHFGQJRGKXTSDO-UHFFFAOYSA-N
Physicochemical Property
logP
5.7453
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 20780024
ChEMBL ID
CHEMBL182624
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 = 1559 nM
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