General Information of the Compound
Compound ID
CP0447058
Compound Name
morpholin-4-yl-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
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Structure
Formula
C19H17N7O2
Molecular Weight
375.392
Canonical SMILES
O=C(N1CCOCC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1
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InChI
InChI=1S/C19H17N7O2/c27-19(25-8-10-28-11-9-25)13-4-3-5-14(12-13)20-17-18-22-23-24-26(18)16-7-2-1-6-15(16)21-17/h1-7,12H,8-11H2,(H,20,21)
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InChIKey
MITWYWKMDDHITQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8885
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
97.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 137646395
ChEMBL ID
CHEMBL4080509
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