General Information of the Compound
Compound ID
CP0463274
Compound Name
2,4-dimorpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylic acid
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Structure
Formula
C15H18N4O4S
Molecular Weight
350.4
Canonical SMILES
OC(=O)c1cc2nc(nc(N3CCOCC3)c2s1)N1CCOCC1
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InChI
InChI=1S/C15H18N4O4S/c20-14(21)11-9-10-12(24-11)13(18-1-5-22-6-2-18)17-15(16-10)19-3-7-23-8-4-19/h9H,1-8H2,(H,20,21)
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InChIKey
LYAOGFDLXPWLNU-UHFFFAOYSA-N
Physicochemical Property
logP
1.0627
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
88.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 137634322
ChEMBL ID
CHEMBL4066144
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
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS