General Information of the Compound
Compound ID
CP0930927
Compound Name
2-((2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazono)methyl)phenol
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Structure
Formula
C18H23N7O3
Molecular Weight
385.428
Canonical SMILES
Oc1ccccc1/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
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InChI
InChI=1S/C18H23N7O3/c26-15-4-2-1-3-14(15)13-19-23-16-20-17(24-5-9-27-10-6-24)22-18(21-16)25-7-11-28-12-8-25/h1-4,13,26H,5-12H2,(H,20,21,22,23)/b19-13+
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InChIKey
FBDQCWMVYLGHCZ-CPNJWEJPSA-N
Physicochemical Property
logP
0.6964
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
108.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
28

"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: 135497408
SID: 117702150
ChEMBL ID
CHEMBL4520748
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
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   LI
   LO
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