General Information of the Compound
| Compound ID |
CP0513000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-2'-(3,6-dihydro-2H-pyran-5-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19F2N3O3
|
||||||||||||||||||
| Molecular Weight |
447.441
|
||||||||||||||||||
| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19F2N3O3/c26-20-11-16(15-3-2-8-31-12-15)10-19-22(20)33-21-6-5-14(17-4-1-7-29-23(17)27)9-18(21)25(19)13-32-24(28)30-25/h1,3-7,9-11H,2,8,12-13H2,(H2,28,30)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJDOGEHWXAGFKG-VWLOTQADSA-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: PT01020, Beta-secretase 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2