General Information of the Compound
Compound ID
CP0949885
Compound Name
4,6-dimorpholino-1,3,5-triazin-2-amine
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Structure
Formula
C11H18N6O2
Molecular Weight
266.305
Canonical SMILES
Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
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InChI
InChI=1S/C11H18N6O2/c12-9-13-10(16-1-5-18-6-2-16)15-11(14-9)17-3-7-19-8-4-17/h1-8H2,(H2,12,13,14,15)
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InChIKey
AMOTYPIBGOJIMI-UHFFFAOYSA-N
Physicochemical Property
logP
-0.873
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
89.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
19

"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: 4577604
SID: 117702153
ChEMBL ID
CHEMBL4474375
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
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   TS