General Information of the Compound
Compound ID
CP0492104
Compound Name
N-(4-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine
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Structure
Formula
C14H9FN6
Molecular Weight
280.266
Canonical SMILES
Fc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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InChI
InChI=1S/C14H9FN6/c15-9-5-7-10(8-6-9)16-13-14-18-19-20-21(14)12-4-2-1-3-11(12)17-13/h1-8H,(H,16,17)
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InChIKey
QQILDJITENLYIW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5552
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 3163516
ChEMBL ID
CHEMBL4086359
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: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3981.07 nM
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