General Information of the Compound
Compound ID
CP0909686
Compound Name
(4-Imidazol-1-yl-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-diphenyl-amine
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Structure
Formula
C22H21N7O
Molecular Weight
399.458
Canonical SMILES
c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(-n3ccnc3)n2)cc1
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InChI
InChI=1S/C22H21N7O/c1-3-7-18(8-4-1)29(19-9-5-2-6-10-19)22-25-20(27-13-15-30-16-14-27)24-21(26-22)28-12-11-23-17-28/h1-12,17H,13-16H2
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InChIKey
JGZZOBASRXHWRQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3637
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
72.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 1262648
SID: 117700637
ChEMBL ID
CHEMBL4561652
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