General Information of the Compound
Compound ID
CP0961760
Compound Name
4-((2-(4-methyl-6-morpholino-1,3,5-triazin-2-yl)hydrazono)methyl)benzene-1,3-diol
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Structure
Formula
C15H18N6O3
Molecular Weight
330.348
Canonical SMILES
Cc1nc(N/N=C/c2ccc(O)cc2O)nc(N2CCOCC2)n1
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InChI
InChI=1S/C15H18N6O3/c1-10-17-14(19-15(18-10)21-4-6-24-7-5-21)20-16-9-11-2-3-12(22)8-13(11)23/h2-3,8-9,22-23H,4-7H2,1H3,(H,17,18,19,20)/b16-9+
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InChIKey
FXTJYHYWPGRZJN-CXUHLZMHSA-N
Physicochemical Property
logP
0.87382
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
115.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
24

"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: 140590646
ChEMBL ID
CHEMBL4450610
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