General Information of the Compound
Compound ID
CP0303271
Compound Name
4-(5-(2,6-dimorpholinopyrimidin-4-yl)furan-2-yl)-2,6-dimethoxyphenol
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Structure
Formula
C24H28N4O6
Molecular Weight
468.51
Canonical SMILES
COc1cc(cc(OC)c1O)-c1ccc(o1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3
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InChIKey
UWALXXDIVYDBPB-UHFFFAOYSA-N
Physicochemical Property
logP
2.7996
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
102.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
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: 135911704
SID: 87460638
ChEMBL ID
CHEMBL567304
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 = 23 nM
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