General Information of the Compound
Compound ID
CP0520354
Compound Name
N-benzyl-N,2-diethyl-7-oxo-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidine-3-carboxamide
    Show/Hide
Structure
Formula
C27H32N4O2
Molecular Weight
444.579
Canonical SMILES
CCN(Cc1ccccc1)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
    Show/Hide
InChI
InChI=1S/C27H32N4O2/c1-6-22-25(26(33)29(7-2)17-21-11-9-8-10-12-21)30-14-13-23(32)31(27(30)28-22)24-19(4)15-18(3)16-20(24)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
    Show/Hide
InChIKey
QLQYTHFRDJSIGD-UHFFFAOYSA-N
Physicochemical Property
logP
5.10146
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
58.44
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46881393
ChEMBL ID
CHEMBL1087673
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 > 5000 nM
   TI
   LI
   LO
   TS