General Information of the Compound
Compound ID
CP0508404
Compound Name
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-methylpyridin-2-amine
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Structure
Formula
C17H23N7O2
Molecular Weight
357.418
Canonical SMILES
Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
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InChIKey
GOJOFOPRSPSXBN-UHFFFAOYSA-N
Physicochemical Property
logP
0.49742
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
102.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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).

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PubChem ID
CID: 137661590
ChEMBL ID
CHEMBL4098203
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 = 1105 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 = 6221 nM
   TI
   LI
   LO
   TS
CL000098 A2058 Homo sapiens (Human)  1
1
IC50 = 14210 nM
   TI
   LI
   LO
   TS