General Information of the Compound
| Compound ID |
CP0909896
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((2,5-difluorophenyl)fluoromethyl)piperidin-1-yl)-2-(isopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F6N5O2
|
||||||||||||||||||
| Molecular Weight |
553.507
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC(C(F)c2cc(F)ccc2F)CC1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N5.C2HF3O2/c1-14(2)29-23-24(31-21-11-15(13-28)3-6-20(21)30-23)32-9-7-16(8-10-32)22(27)18-12-17(25)4-5-19(18)26;3-2(4,5)1(6)7/h3-6,11-12,14,16,22H,7-10H2,1-2H3,(H,29,30);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZJKAYRRMVRFHB-UHFFFAOYSA-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