General Information of the Compound
Compound ID
CP0022318
Compound Name
8-pyridin-2-yloxy-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
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Structure
Formula
C15H11N3O2S2
Molecular Weight
329.406
Canonical SMILES
NC(=O)c1sc(Oc2ccccn2)c-2c1CCc1cnsc-21
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InChI
InChI=1S/C15H11N3O2S2/c16-14(19)13-9-5-4-8-7-18-22-12(8)11(9)15(21-13)20-10-3-1-2-6-17-10/h1-3,6-7H,4-5H2,(H2,16,19)
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InChIKey
VVABWBULVNCYQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.2564
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
78.1
Hydrogen Bond Donor Count
1
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: 125501676
ChEMBL ID
CHEMBL4061783
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: PT01975, Cyclin-dependent kinase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000104 SW620 Homo sapiens (Human)  1
1
EC50 = 66 nM
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