General Information of the Compound
Compound ID
CP0032209
Compound Name
8-methylsulfonyl-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
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Structure
Formula
C11H10N2O3S3
Molecular Weight
314.413
Canonical SMILES
CS(=O)(=O)c1sc(C(N)=O)c2CCc3cnsc3-c12
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InChI
InChI=1S/C11H10N2O3S3/c1-19(15,16)11-7-6(9(17-11)10(12)14)3-2-5-4-13-18-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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InChIKey
RZQHYFZZENKDST-UHFFFAOYSA-N
Physicochemical Property
logP
1.4726
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
90.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 125501625
ChEMBL ID
CHEMBL4097047
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 = 220 nM
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