General Information of the Compound
Compound ID
CP0471530
Compound Name
N-(cyclopropylmethyl)-2-ethyl-N-propyl-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide
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Structure
Formula
C25H36N4O
Molecular Weight
408.59
Canonical SMILES
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C25H36N4O/c1-6-11-27(16-20-9-10-20)24(30)23-21(7-2)26-25-28(12-8-13-29(23)25)22-18(4)14-17(3)15-19(22)5/h14-15,20H,6-13,16H2,1-5H3
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InChIKey
UPCIIZFDNWAFAO-UHFFFAOYSA-N
Physicochemical Property
logP
5.17476
Rotatable Bonds
7
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).

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PubChem ID
CID: 20780283
ChEMBL ID
CHEMBL1086163
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 = 2300 nM
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