General Information of the Compound
Compound ID
CP0665881
Compound Name
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)acetamide
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Structure
Formula
C7H10N4OS
Molecular Weight
198.251
Canonical SMILES
CC(=O)Nc1nnc2n1CCCS2
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InChI
InChI=1S/C7H10N4OS/c1-5(12)8-6-9-10-7-11(6)3-2-4-13-7/h2-4H2,1H3,(H,8,9,12)
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InChIKey
HTWVUABWSVFZBF-UHFFFAOYSA-N
Physicochemical Property
logP
0.7323
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
13

"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: 27396804
ChEMBL ID
CHEMBL2425793
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: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 19000 nM
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