General Information of the Compound
| Compound ID |
CP0261408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,4-difluorophenyl)-3-[(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl]triazolo[4,5-c]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F2N5O3
|
||||||||||||||||||
| Molecular Weight |
477.471
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3ccc(F)c(F)c3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F2N5O3/c1-15(16-3-6-22-17(11-16)12-19(14-28-22)35-10-9-34-2)32-24-23(29-30-32)7-8-31(25(24)33)18-4-5-20(26)21(27)13-18/h3-8,11-15H,9-10H2,1-2H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOPSJMVERRFXAX-HNNXBMFYSA-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