General Information of the Compound
Compound ID
CP0447258
Compound Name
4-N,4-N-dimethyl-1-N-(tetrazolo[1,5-a]quinoxalin-4-yl)benzene-1,4-diamine
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Structure
Formula
C16H15N7
Molecular Weight
305.345
Canonical SMILES
CN(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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InChI
InChI=1S/C16H15N7/c1-22(2)12-9-7-11(8-10-12)17-15-16-19-20-21-23(16)14-6-4-3-5-13(14)18-15/h3-10H,1-2H3,(H,17,18)
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InChIKey
QFDQTVNPCCYMTN-UHFFFAOYSA-N
Physicochemical Property
logP
2.4821
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
71.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 15989803
ChEMBL ID
CHEMBL1516121
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 = 1258.93 nM
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