General Information of the Compound
Compound ID
CP0456424
Compound Name
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
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Structure
Formula
C16H21N7O2
Molecular Weight
343.391
Canonical SMILES
Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
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InChIKey
CCDWKOPCDXYXLL-UHFFFAOYSA-N
Physicochemical Property
logP
0.189
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
102.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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: 46202650
SID: 96056723
ChEMBL ID
CHEMBL4068426
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
CL000098 A2058 Homo sapiens (Human)  1
1
IC50 = 3819 nM
   TI
   LI
   LO
   TS