General Information of the Compound
| Compound ID |
CP0243163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)cyclopropyl)-5-neopentylpyridine 1-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33F2N3O3
|
||||||||||||||||||
| Molecular Weight |
461.553
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)c[n+]([O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33F2N3O3/c1-16(31)29-22(10-17-8-20(26)11-21(27)9-17)23(32)13-28-25(5-6-25)19-7-18(12-24(2,3)4)14-30(33)15-19/h7-9,11,14-15,22-23,28,32H,5-6,10,12-13H2,1-4H3,(H,29,31)/t22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZOWDSWZTVEAML-XZOQPEGZSA-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