General Information of the Compound
| Compound ID |
CP0451868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F2N3O2S
|
||||||||||||||||||
| Molecular Weight |
375.4
|
||||||||||||||||||
| Canonical SMILES |
NCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F2N3O2S/c19-11-5-6-14(20)12(9-11)17-22-23(16(24)10-21)18(26-17)7-8-25-15-4-2-1-3-13(15)18/h1-6,9H,7-8,10,21H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABPCWONNNXXDCH-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