General Information of the Compound
Compound ID
CP0900082
Compound Name
4,4'-(6-(2-benzylidenehydrazinyl)pyrimidine-2,4-diyl)dimorpholine
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Structure
Formula
C19H24N6O2
Molecular Weight
368.441
Canonical SMILES
C(=N/Nc1cc(N2CCOCC2)nc(N2CCOCC2)n1)\c1ccccc1
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InChI
InChI=1S/C19H24N6O2/c1-2-4-16(5-3-1)15-20-23-17-14-18(24-6-10-26-11-7-24)22-19(21-17)25-8-12-27-13-9-25/h1-5,14-15H,6-13H2,(H,21,22,23)/b20-15+
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InChIKey
CZGWXYLLXFDESJ-HMMYKYKNSA-N
Physicochemical Property
logP
1.5958
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
75.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 9639641
SID: 117701906
ChEMBL ID
CHEMBL4452191
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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