General Information of the Compound
| Compound ID |
CP0455809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N5O4
|
||||||||||||||||||
| Molecular Weight |
451.527
|
||||||||||||||||||
| Canonical SMILES |
CNc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N5O4/c1-15-16(3-4-17-18(15)14-33-21(17)31)19(30)13-28-10-6-24(7-11-28)8-12-29(22(24)32)20-5-9-26-23(25-2)27-20/h3-5,9,19,30H,6-8,10-14H2,1-2H3,(H,25,26,27)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFAVOQJDABJWRE-IBGZPJMESA-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
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2