General Information of the Compound
Compound ID
CP0486466
Compound Name
4-isopropoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine
    Show/Hide
Structure
Formula
C23H35N3O2
Molecular Weight
385.552
Canonical SMILES
CCCN(CCC)c1c(C)nc(nc1OC(C)C)-c1c(C)cc(C)cc1OC
    Show/Hide
InChI
InChI=1S/C23H35N3O2/c1-9-11-26(12-10-2)21-18(7)24-22(25-23(21)28-15(3)4)20-17(6)13-16(5)14-19(20)27-8/h13-15H,9-12H2,1-8H3
    Show/Hide
InChIKey
XSINLWGOBPKARD-UHFFFAOYSA-N
Physicochemical Property
logP
5.49106
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
47.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10200119
SID: 15198215
ChEMBL ID
CHEMBL497283
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 > 5000 nM
   TI
   LI
   LO
   TS