General Information of the Compound
Compound ID
CP0563000
Compound Name
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
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Structure
Formula
C15H20N8O2
Molecular Weight
344.379
Canonical SMILES
Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
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InChIKey
OHOQXZAUVZJVRL-UHFFFAOYSA-N
Physicochemical Property
logP
-0.416
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
115.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
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: 46202651
SID: 96056724
ChEMBL ID
CHEMBL4097282
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
CL000098 A2058 Homo sapiens (Human)  1
1
IC50 = 415 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 = 270 nM
   TI
   LI
   LO
   TS