General Information of the Compound
Compound ID
CP0393904
Compound Name
N-(3-propan-2-ylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
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Structure
Formula
C17H16N6
Molecular Weight
304.357
Canonical SMILES
CC(C)c1cccc(Nc2nc3ccccc3n3nnnc23)c1
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InChI
InChI=1S/C17H16N6/c1-11(2)12-6-5-7-13(10-12)18-16-17-20-21-22-23(17)15-9-4-3-8-14(15)19-16/h3-11H,1-2H3,(H,18,19)
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InChIKey
VETAZQZJPNMZOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.5395
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 137653685
ChEMBL ID
CHEMBL4092054
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
   TI
   LI
   LO
   TS