General Information of the Compound
Compound ID
CP0382304
Compound Name
7-(4-Chloro-phenyl)-4-morpholin-4-yl-pteridine
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Structure
Formula
C16H14ClN5O
Molecular Weight
327.775
Canonical SMILES
Clc1ccc(cc1)-c1cnc2c(ncnc2n1)N1CCOCC1
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InChI
InChI=1S/C16H14ClN5O/c17-12-3-1-11(2-4-12)13-9-18-14-15(21-13)19-10-20-16(14)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2
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InChIKey
UJDQAFDIEFETRB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5768
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
64.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 44365982
ChEMBL ID
CHEMBL151553
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 = 22000 nM
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