General Information of the Compound
Compound ID
CP0543015
Compound Name
3-amino-4-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide
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Structure
Formula
C14H18N4OS
Molecular Weight
290.392
Canonical SMILES
CC1CCN(CC1)c1ccnc2sc(C(N)=O)c(N)c12
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InChI
InChI=1S/C14H18N4OS/c1-8-3-6-18(7-4-8)9-2-5-17-14-10(9)11(15)12(20-14)13(16)19/h2,5,8H,3-4,6-7,15H2,1H3,(H2,16,19)
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InChIKey
KYMQYNMISHUHRP-UHFFFAOYSA-N
Physicochemical Property
logP
2.2137
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
85.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 69363610
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 520 nM
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