General Information of the Compound
Compound ID
CP0135913
Compound Name
2-(6-morpholino-9H-purin-2-yl)phenol
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Synonyms
2-(6-morpholino-9H-purin-2-yl)phenol
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Structure
Formula
C15H15N5O2
Molecular Weight
297.318
Canonical SMILES
Oc1ccccc1-c1nc(N2CCOCC2)c2[nH]cnc2n1
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InChI
InChI=1S/C15H15N5O2/c21-11-4-2-1-3-10(11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19)
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InChIKey
SWYYAXGUDZLFKO-UHFFFAOYSA-N
Physicochemical Property
logP
1.5621
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
87.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 135955185
SID: 56407819
ChEMBL ID
CHEMBL585400
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(6-morpholino-9H-purin-2-yl)phenol )
Drug Name 2-(6-morpholino-9H-purin-2-yl)phenol
Target(s)
Serine/threonine-protein kinase mTOR (mTOR)
Inhibitor