General Information of the Compound
| Compound ID |
CP0517090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-1,3-dioxa-8-azaspiro[4.5]decan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22Cl2FN3O5S
|
||||||||||||||||||
| Molecular Weight |
590.46
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(COC(O2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22Cl2FN3O5S/c28-15-2-1-3-16(29)19(15)22-20(23(38-32-22)13-4-5-13)25-36-12-27(37-25)6-8-33(9-7-27)26-31-21-17(30)10-14(24(34)35)11-18(21)39-26/h1-3,10-11,13,25H,4-9,12H2,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIISZMRTGKWIFN-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