General Information of the Compound
Compound ID
CP0390412
Compound Name
N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[[2-(trifluoromethyl)-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]ethanamine
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Structure
Formula
C24H30F6N4
Molecular Weight
488.52
Canonical SMILES
Cc1cc(C)c(N2CCCn3c(CN(CC4CCC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
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InChI
InChI=1S/C24H30F6N4/c1-15-10-16(2)20(17(3)11-15)34-9-5-8-33-19(21(24(28,29)30)31-22(33)34)13-32(14-23(25,26)27)12-18-6-4-7-18/h10-11,18H,4-9,12-14H2,1-3H3
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InChIKey
AWFSLBIGRQUCJP-UHFFFAOYSA-N
Physicochemical Property
logP
6.53336
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
24.3
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: 21916306
ChEMBL ID
CHEMBL1088624
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 = 27 nM
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   LI
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