General Information of the Compound
Compound ID
CP0942216
Compound Name
(4-Imidazol-1-yl-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-methyl-1-phenyl-amine
    Show/Hide
Structure
Formula
C17H19N7O
Molecular Weight
337.387
Canonical SMILES
CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1
    Show/Hide
InChI
InChI=1S/C17H19N7O/c1-22(14-5-3-2-4-6-14)15-19-16(23-9-11-25-12-10-23)21-17(20-15)24-8-7-18-13-24/h2-8,13H,9-12H2,1H3
    Show/Hide
InChIKey
DXDWMHWXDNCXQB-UHFFFAOYSA-N
Physicochemical Property
logP
1.6618
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
72.2
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 667707
SID: 15446473
ChEMBL ID
CHEMBL4520215
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 < 50000 nM
   TI
   LI
   LO
   TS