General Information of the Compound
Compound ID
CP0276766
Compound Name
7-(4-Morpholin-4-yl-phenyl)-pteridin-4-ylamine
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Structure
Formula
C16H16N6O
Molecular Weight
308.345
Canonical SMILES
Nc1ncnc2nc(cnc12)-c1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C16H16N6O/c17-15-14-16(20-10-19-15)21-13(9-18-14)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H2,17,19,20,21)
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InChIKey
WZEORQJKFFGZDN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5056
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
90.05
Hydrogen Bond Donor Count
1
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: 11023238
SID: 16086026
ChEMBL ID
CHEMBL65852
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: PT01274, Adenosine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 1000 nM
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