General Information of the Compound
| Compound ID |
CP0117600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6S,7S)-6-[4-(3,5-difluoro-phenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23F2N3O3
|
||||||||||||||||||
| Molecular Weight |
391.418
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1cc(F)cc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F2N3O3/c21-14-7-13(8-15(22)9-14)12-1-5-25(6-2-12)19(27)17-16(18(26)24-28)10-20(3-4-20)11-23-17/h1,7-9,16-17,23,28H,2-6,10-11H2,(H,24,26)/t16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRVYWSXTKLCPHD-IRXDYDNUSA-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