General Information of the Compound
Compound ID
CP0502911
Compound Name
5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one
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Structure
Formula
C23H21N3O2S
Molecular Weight
403.507
Canonical SMILES
Cn1cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc2c1=O)-c1ccncc1
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InChI
InChI=1S/C23H21N3O2S/c1-25-15-20(16-2-4-18(5-3-16)26-10-12-28-13-11-26)22-19(23(25)27)14-21(29-22)17-6-8-24-9-7-17/h2-9,14-15H,10-13H2,1H3
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InChIKey
WVLBSRCGDXMGGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.1656
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 56680583
ChEMBL ID
CHEMBL1809111
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS