General Information of the Compound
Compound ID
CP0382896
Compound Name
8-mesityl-2-methyl-N-phenethyl-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide
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Structure
Formula
C28H36N4O
Molecular Weight
444.623
Canonical SMILES
CCCN(CCc1ccccc1)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C28H36N4O/c1-6-14-30(17-13-24-11-8-7-9-12-24)27(33)26-23(5)29-28-31(15-10-16-32(26)28)25-21(3)18-20(2)19-22(25)4/h7-9,11-12,18-19H,6,10,13-17H2,1-5H3
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InChIKey
RNDZVYYHCKLREY-UHFFFAOYSA-N
Physicochemical Property
logP
5.75348
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
41.37
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).

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PubChem ID
CID: 20780039
ChEMBL ID
CHEMBL1083513
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 = 1700 nM
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