General Information of the Compound
Compound ID
CP0392309
Compound Name
N-(cyclopropylmethyl)-N-[[6-ethyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-5-yl]methyl]propan-1-amine
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Structure
Formula
C24H36N4
Molecular Weight
380.58
Canonical SMILES
CCCN(CC1CC1)Cc1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C24H36N4/c1-6-10-26(15-20-8-9-20)16-22-21(7-2)25-24-27(22)11-12-28(24)23-18(4)13-17(3)14-19(23)5/h13-14,20H,6-12,15-16H2,1-5H3
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InChIKey
BKVQPBNXWQJSLD-UHFFFAOYSA-N
Physicochemical Property
logP
5.14446
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
24.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 20780284
ChEMBL ID
CHEMBL179985
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 = 19000 nM
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