General Information of the Compound
Compound ID
CP0382898
Compound Name
N-(cyclopropylmethyl)-2-ethyl-7-oxo-N-propyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidine-3-carboxamide
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Structure
Formula
C25H34N4O2
Molecular Weight
422.573
Canonical SMILES
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C25H34N4O2/c1-6-11-27(15-19-8-9-19)24(31)23-20(7-2)26-25-28(23)12-10-21(30)29(25)22-17(4)13-16(3)14-18(22)5/h13-14,19H,6-12,15H2,1-5H3
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InChIKey
WDNCGRNSQGMPCN-UHFFFAOYSA-N
Physicochemical Property
logP
4.70136
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
58.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 46881392
ChEMBL ID
CHEMBL1088327
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