General Information of the Compound
Compound ID
CP0922011
Compound Name
N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)cyclopropanecarboxamide
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Structure
Formula
C8H10N4OS
Molecular Weight
210.262
Canonical SMILES
O=C(Nc1nnc2n1CCS2)C1CC1
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InChI
InChI=1S/C8H10N4OS/c13-6(5-1-2-5)9-7-10-11-8-12(7)3-4-14-8/h5H,1-4H2,(H,9,10,13)
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InChIKey
AUYTYUIUBJRLJT-UHFFFAOYSA-N
Physicochemical Property
logP
0.7323
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
14

"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: 22582929
ChEMBL ID
CHEMBL2425794
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 = 2010 nM
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