General Information of the Compound
| Compound ID |
CP0904161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-8-((R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-8-yl)ethyl)-3-methyl-2-(5-oxo-2,5-dihydrofuran-3-yl)-2,8-diazaspiro[4.5]decan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N6O4
|
||||||||||||||||||
| Molecular Weight |
450.499
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N6O4/c1-14-10-23(22(32)29(14)17-9-20(31)33-13-17)4-6-27(7-5-23)12-19(30)15-2-3-16-11-28-21(18(16)8-15)24-25-26-28/h2-3,8-9,14,19,30H,4-7,10-13H2,1H3/t14-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRCXFEMZIGWHDU-LIRRHRJNSA-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