General Information of the Compound
Compound ID
CP0640938
Compound Name
3-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)phenol
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Structure
Formula
C16H16ClN3O2S
Molecular Weight
349.843
Canonical SMILES
Cl.Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
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InChI
InChI=1S/C16H15N3O2S.ClH/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19;/h1-4,9-10,20H,5-8H2;1H
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InChIKey
QZNGTGMIDAWLPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.3223
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
58.48
Hydrogen Bond Donor Count
1
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: 16757577
SID: 26746657
ChEMBL ID
CHEMBL541643
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: PT01368, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16 nM
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 660 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 660 nM
Protein ID: PT02170, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 220 nM