General Information of the Compound
| Compound ID |
CP0854744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,6S)-1-methyl-4-(3-trifluoromethyl-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14F3NO3
|
||||||||||||||||||
| Molecular Weight |
325.286
|
||||||||||||||||||
| Canonical SMILES |
CC12CCC(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14F3NO3/c1-15-6-5-10(23-15)11-12(15)14(22)20(13(11)21)9-4-2-3-8(7-9)16(17,18)19/h2-4,7,10-12H,5-6H2,1H3/t10?,11-,12+,15?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIPKOONRVCMMEC-OOLXCHQQSA-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