General Information of the Compound
Compound ID
CP0458578
Compound Name
N-(2-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
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Structure
Formula
C15H12N6
Molecular Weight
276.303
Canonical SMILES
Cc1ccccc1Nc1nc2ccccc2n2nnnc12
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InChI
InChI=1S/C15H12N6/c1-10-6-2-3-7-11(10)16-14-15-18-19-20-21(15)13-9-5-4-8-12(13)17-14/h2-9H,1H3,(H,16,17)
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InChIKey
KGWMQKYMDTVWSU-UHFFFAOYSA-N
Physicochemical Property
logP
2.72452
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: 137656402
ChEMBL ID
CHEMBL4105641
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 > 10000 nM
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   LI
   LO
   TS