General Information of the Compound
Compound ID
CP0569299
Compound Name
2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
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Formula
C15H13N3OS3
Molecular Weight
347.49
Canonical SMILES
CSc1ccc(cc1)-c1cc2ncnc(SCC(N)=O)c2s1
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InChI
InChI=1S/C15H13N3OS3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(18-8-17-11)21-7-13(16)19/h2-6,8H,7H2,1H3,(H2,16,19)
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InChIKey
YUYDAYLHPIQFFX-UHFFFAOYSA-N
Physicochemical Property
logP
3.6576
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
68.87
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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ChEMBL ID
CHEMBL4782453
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: PT02503, Serine/threonine-protein kinase 17B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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