General Information of the Compound
| Compound ID |
CP0537872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1-[(2S)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N4O5
|
||||||||||||||||||
| Molecular Weight |
528.487
|
||||||||||||||||||
| Canonical SMILES |
O[C@H](CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1noc(c1C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N4O5/c27-26(28,29)20-21(31-37-22(20)16-5-2-1-3-6-16)24-30-23(32-38-24)17-10-8-15(9-11-17)19(34)14-33-12-4-7-18(13-33)25(35)36/h1-3,5-6,8-11,18-19,34H,4,7,12-14H2,(H,35,36)/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDQQWZLAVFZPBI-RBUKOAKNSA-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