General Information of the Compound
| Compound ID |
CP0429114
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11F3N2O
|
||||||||||||||||||
| Molecular Weight |
268.238
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11F3N2O/c1-6-5-17-10-4-11-8(2-7(6)10)9(13(14,15)16)3-12(19)18-11/h2-4,6,17H,5H2,1H3,(H,18,19)/t6-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTJLXJXJVXLGCX-ZCFIWIBFSA-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