General Information of the Compound
| Compound ID |
CP0492107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N9O
|
||||||||||||||||||
| Molecular Weight |
451.494
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCN(CC1)c1ccccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)21-7-3-4-12-25-21)17-8-10-18(11-9-17)26-22-23-28-29-30-33(23)20-6-2-1-5-19(20)27-22/h1-12H,13-16H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPTAHTMJJWYVIB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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