General Information of the Compound
Compound ID
CP0210152
Compound Name
5,6-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
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Structure
Formula
C16H10N4O
Molecular Weight
274.283
Canonical SMILES
c1ccc(cc1)-c1nc2nonc2nc1-c1ccccc1
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InChI
InChI=1S/C16H10N4O/c1-3-7-11(8-4-1)13-14(12-9-5-2-6-10-12)18-16-15(17-13)19-21-20-16/h1-10H
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InChIKey
ZKJWNSFFVBZYSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3468
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
64.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 568592
ChEMBL ID
CHEMBL1372732
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS