General Information of the Compound
Compound ID
CP0527166
Compound Name
8-mesityl-2-methyl-3-(morpholine-4-carbonyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7(8H)-one
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Structure
Formula
C21H26N4O3
Molecular Weight
382.464
Canonical SMILES
Cc1nc2N(C(=O)CCn2c1C(=O)N1CCOCC1)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C21H26N4O3/c1-13-11-14(2)18(15(3)12-13)25-17(26)5-6-24-19(16(4)22-21(24)25)20(27)23-7-9-28-10-8-23/h11-12H,5-10H2,1-4H3
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InChIKey
SOHFBZYTLOBPAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.65758
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
67.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 46881391
ChEMBL ID
CHEMBL1088326
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