General Information of the Compound
Compound ID
CP0432917
Compound Name
2-Ethyl-7-(2,4,6-trimethyl-phenyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-(2,2,3,3,3-pentafluoro-propyl)-amide
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Structure
Formula
C24H29F5N4O
Molecular Weight
484.513
Canonical SMILES
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)C(F)(F)F)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C24H29F5N4O/c1-5-18-20(21(34)31(12-17-6-7-17)13-23(25,26)24(27,28)29)33-9-8-32(22(33)30-18)19-15(3)10-14(2)11-16(19)4/h10-11,17H,5-9,12-13H2,1-4H3
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InChIKey
JLSRWRSUTFRQSW-UHFFFAOYSA-N
Physicochemical Property
logP
5.57226
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 20780280
ChEMBL ID
CHEMBL181227
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 = 63 nM
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   LI
   LO
   TS