General Information of the Compound
| Compound ID |
CP0415647
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R,7S)-6-ethyl-7-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16F3NO2
|
||||||||||||||||||
| Molecular Weight |
311.303
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGHRCZOIYJBGPL-RKDXNWHRSA-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