General Information of the Compound
Compound ID
CP0432784
Compound Name
2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
    Show/Hide
Structure
Formula
C24H34N4O
Molecular Weight
394.563
Canonical SMILES
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
    Show/Hide
InChI
InChI=1S/C24H34N4O/c1-6-10-26(15-19-8-9-19)23(29)22-20(7-2)25-24-27(11-12-28(22)24)21-17(4)13-16(3)14-18(21)5/h13-14,19H,6-12,15H2,1-5H3
    Show/Hide
InChIKey
CFYYVKBYVMQKFG-UHFFFAOYSA-N
Physicochemical Property
logP
4.78466
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11502109
SID: 16604067
ChEMBL ID
CHEMBL359956
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 = 42 nM
   TI
   LI
   LO
   TS