General Information of the Compound
Compound ID
CP0447403
Compound Name
4-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methyl)morpholine
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Structure
Formula
C21H27F3N4O
Molecular Weight
408.468
Canonical SMILES
Cc1cc(C)c(N2CCCn3c(CN4CCOCC4)c(nc23)C(F)(F)F)c(C)c1
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InChI
InChI=1S/C21H27F3N4O/c1-14-11-15(2)18(16(3)12-14)28-6-4-5-27-17(13-26-7-9-29-10-8-26)19(21(22,23)24)25-20(27)28/h11-12H,4-10,13H2,1-3H3
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InChIKey
NNEWWUORCZNVGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.20116
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
33.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 46881398
ChEMBL ID
CHEMBL1087173
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 = 1510 nM
   TI
   LI
   LO
   TS