General Information of the Compound
Compound ID
CP0935232
Compound Name
N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)cyclobutanecarboxamide
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Structure
Formula
C9H12N4OS
Molecular Weight
224.289
Canonical SMILES
O=C(Nc1nnc2n1CCS2)C1CCC1
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InChI
InChI=1S/C9H12N4OS/c14-7(6-2-1-3-6)10-8-11-12-9-13(8)4-5-15-9/h6H,1-5H2,(H,10,11,14)
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InChIKey
ZMAKLNGTHCMQJG-UHFFFAOYSA-N
Physicochemical Property
logP
1.1224
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 73292725
ChEMBL ID
CHEMBL2425795
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 = 264 nM
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