General Information of the Compound
Compound ID
CP0905700
Compound Name
2-((2-(2-methyl-6-morpholinopyrimidin-4-yl)hydrazono)methyl)phenol
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Structure
Formula
C16H19N5O2
Molecular Weight
313.361
Canonical SMILES
Cc1nc(N/N=C/c2ccccc2O)cc(N2CCOCC2)n1
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InChI
InChI=1S/C16H19N5O2/c1-12-18-15(10-16(19-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)/b17-11+
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InChIKey
HOCRATNARREEMH-GZTJUZNOSA-N
Physicochemical Property
logP
1.77322
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
82.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 136445552
ChEMBL ID
CHEMBL4546747
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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