General Information of the Compound
| Compound ID |
CP0487772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
Oxazolo[3,4-a]pyrazine derivative 3
PMID27788040-Compound-1b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O3
|
||||||||||||||||||
| Molecular Weight |
427.504
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O3/c30-24(27-18-20-10-4-1-5-11-20)28-16-17-29-23(19-28)26(32-25(29)31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPBWKKIZKTUNIP-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
Clinical Information about the Compound
Drug 1 ( Oxazolo[3,4-a]pyrazine derivative 3 )
| Drug Name | Oxazolo[3,4-a]pyrazine derivative 3 | ||
|---|---|---|---|
| Company | TAKEDA PHARMACEUTICAL COMPANY LIMITED Fukatsu, Kohji Nakayama, Yutaka Tarui, Naoki Mori, Masaaki Matsumoto, Hirokazu Kurasawa, Osamu Banno, Hiroshi | ||
| Target(s) | |||