General Information of the Compound
Compound ID
CP0868916
Compound Name
N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)-3-(furan-2-yl)propanamide
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Structure
Formula
C11H12N4O2S
Molecular Weight
264.31
Canonical SMILES
O=C(CCc1ccco1)Nc1nnc2n1CCS2
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InChI
InChI=1S/C11H12N4O2S/c16-9(4-3-8-2-1-6-17-8)12-10-13-14-11-15(10)5-7-18-11/h1-2,6H,3-5,7H2,(H,12,13,16)
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InChIKey
FTQQHEPHJLKUHN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5481
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
72.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 73293212
ChEMBL ID
CHEMBL2425816
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 = 88 nM
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