General Information of the Compound
Compound ID
CP0497025
Compound Name
4-(5-(2,6-dimorpholinopyrimidin-4-yl)furan-2-yl)phenol
    Show/Hide
Structure
Formula
C22H24N4O4
Molecular Weight
408.458
Canonical SMILES
Oc1ccc(cc1)-c1ccc(o1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C22H24N4O4/c27-17-3-1-16(2-4-17)19-5-6-20(30-19)18-15-21(25-7-11-28-12-8-25)24-22(23-18)26-9-13-29-14-10-26/h1-6,15,27H,7-14H2
    Show/Hide
InChIKey
UWAZUBOXSUDFIR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7824
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
84.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 136180791
ChEMBL ID
CHEMBL585292
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 550 nM
   TI
   LI
   LO
   TS