General Information of the Compound
Compound ID
CP0408206
Compound Name
4-(2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
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Structure
Formula
C14H19N5O2
Molecular Weight
289.339
Canonical SMILES
C1CN(CCO1)c1nc(N2CCOCC2)c2cc[nH]c2n1
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InChI
InChI=1S/C14H19N5O2/c1-2-15-12-11(1)13(18-3-7-20-8-4-18)17-14(16-12)19-5-9-21-10-6-19/h1-2H,3-10H2,(H,15,16,17)
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InChIKey
OYMZHKCEBHNHEO-UHFFFAOYSA-N
Physicochemical Property
logP
0.6311
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
66.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 68195106
ChEMBL ID
CHEMBL4084177
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 2000 nM
   TI
   LI
   LO
   TS