General Information of the Compound
Compound ID
CP0502904
Compound Name
2-Methyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
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Structure
Formula
C23H32N4O
Molecular Weight
380.536
Canonical SMILES
CCCN(CC1CC1)C(=O)c1c(C)nc2N(CCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C23H32N4O/c1-6-9-25(14-19-7-8-19)22(28)21-18(5)24-23-26(10-11-27(21)23)20-16(3)12-15(2)13-17(20)4/h12-13,19H,6-11,14H2,1-5H3
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InChIKey
LVYABXNKNRTGMO-UHFFFAOYSA-N
Physicochemical Property
logP
4.53068
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
41.37
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: 20780282
ChEMBL ID
CHEMBL180178
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 = 220 nM
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   LI
   LO
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