General Information of the Compound
Compound ID
CP0483994
Compound Name
6-chloro-2-(2-cyclohexylethoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
    Show/Hide
Structure
Formula
C19H27ClN4OS
Molecular Weight
394.972
Canonical SMILES
Cc1nc(C)c(CNc2nc(OCCC3CCCCC3)nc(Cl)c2C)s1
    Show/Hide
InChI
InChI=1S/C19H27ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h15H,4-11H2,1-3H3,(H,21,23,24)
    Show/Hide
InChIKey
RXNQUZNILPTAKD-UHFFFAOYSA-N
Physicochemical Property
logP
5.47306
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 122192116
ChEMBL ID
CHEMBL3622897
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000192 AD-293 Homo sapiens (Human)  1
1
Ki = 400 nM
   TI
   LI
   LO
   TS