General Information of the Compound
Compound ID
CP0497310
Compound Name
N-(cyclopropylmethyl)-N-[[6-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-5-yl]methyl]propan-1-amine
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Structure
Formula
C23H34N4
Molecular Weight
366.553
Canonical SMILES
CCCN(CC1CC1)Cc1c(C)nc2N(CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C23H34N4/c1-6-9-25(14-20-7-8-20)15-21-19(5)24-23-26(21)10-11-27(23)22-17(3)12-16(2)13-18(22)4/h12-13,20H,6-11,14-15H2,1-5H3
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InChIKey
NUSYFZFTXGZARH-UHFFFAOYSA-N
Physicochemical Property
logP
4.89048
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
24.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 20780285
ChEMBL ID
CHEMBL362799
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 = 6600 nM
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