General Information of the Compound
| Compound ID |
CP0105442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-oxo-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N5O3S
|
||||||||||||||||||
| Molecular Weight |
435.509
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1nc(cs1)-c1ccccn1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5O3S/c28-20(25-19-24-18(14-31-19)17-8-4-5-11-23-17)26-12-9-22(10-13-26)15-27(21(29)30-22)16-6-2-1-3-7-16/h1-8,11,14H,9-10,12-13,15H2,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYYWGBGGQGPOAP-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