General Information of the Compound
| Compound ID |
CP0529539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,10R,10aS)-7-fluoro-8-(2-fluoropyridin-3-yl)-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F2N3O3
|
||||||||||||||||||
| Molecular Weight |
387.386
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(c(F)cc1O2)-c1cccnc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F2N3O3/c1-19-4-6-26-9-16(19)20(10-27-18(23)25-20)13-7-12(14(21)8-15(13)28-19)11-3-2-5-24-17(11)22/h2-3,5,7-8,16H,4,6,9-10H2,1H3,(H2,23,25)/t16-,19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXDMKDVEFBRFIO-VDGAXYAQSA-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