General Information of the Compound
Compound ID
CP0070395
Compound Name
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
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Structure
Formula
C19H20FN5
Molecular Weight
337.402
Canonical SMILES
Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
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InChI
InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
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InChIKey
WUDBUIUHVNECTM-UHFFFAOYSA-N
Physicochemical Property
logP
4.2336
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 11681588
SID: 16785736
ChEMBL ID
CHEMBL1951415
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: PT01351, Casein kinase I isoform delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 80.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.8 nM
2 IC50 = 13 nM
3 IC50 = 32 nM
4 IC50 = 80 nM