General Information of the Compound
Compound ID
CP0394871
Compound Name
4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline
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Structure
Formula
C17H22N6O2
Molecular Weight
342.403
Canonical SMILES
Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
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InChIKey
OGMSQGCPVLGNIG-UHFFFAOYSA-N
Physicochemical Property
logP
0.794
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
89.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 45379087
SID: 93370658
ChEMBL ID
CHEMBL4089567
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 = 1282 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 = 8504 nM
   TI
   LI
   LO
   TS