General Information of the Compound
Compound ID
CP0382895
Compound Name
N,N-bis(cyclopropylmethyl)-2-methyl-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide
    Show/Hide
Structure
Formula
C25H34N4O
Molecular Weight
406.574
Canonical SMILES
Cc1nc2N(CCCn2c1C(=O)N(CC1CC1)CC1CC1)c1c(C)cc(C)cc1C
    Show/Hide
InChI
InChI=1S/C25H34N4O/c1-16-12-17(2)22(18(3)13-16)28-10-5-11-29-23(19(4)26-25(28)29)24(30)27(14-20-6-7-20)15-21-8-9-21/h12-13,20-21H,5-11,14-15H2,1-4H3
    Show/Hide
InChIKey
PHSBRGLBHUCQBX-UHFFFAOYSA-N
Physicochemical Property
logP
4.92078
Rotatable Bonds
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 20780288
ChEMBL ID
CHEMBL1077158
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 = 3400 nM
   TI
   LI
   LO
   TS