General Information of the Compound
| Compound ID |
CP0558568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[1-[2-(2-fluoroanilino)-2-oxoacetyl]piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F5N3O7
|
||||||||||||||||||
| Molecular Weight |
571.455
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1F)C(=O)COc1c(F)c(F)cc(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F5N3O7/c26-13-3-1-2-4-16(13)31-24(38)25(39)33-7-5-12(6-8-33)23(37)32-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h1-4,9,12,17H,5-8,10-11H2,(H,31,38)(H,32,37)(H,35,36)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFPUZPYDXRYDHA-KRWDZBQOSA-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