General Information of the Compound
Compound ID |
CP0967980
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-(4-(2,4-difluorobenzyl)piperidin-1-yl)-N-(2-methoxyethyl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H26F5N5O3
|
||||||||||||||||||
Molecular Weight |
527.494
|
||||||||||||||||||
Canonical SMILES |
COCCNc1nc2ccncc2nc1N1CCC(Cc2ccc(F)cc2F)CC1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C22H25F2N5O.C2HF3O2/c1-30-11-8-26-21-22(28-20-14-25-7-4-19(20)27-21)29-9-5-15(6-10-29)12-16-2-3-17(23)13-18(16)24;3-2(4,5)1(6)7/h2-4,7,13-15H,5-6,8-12H2,1H3,(H,26,27);(H,6,7)
Show/Hide
|
||||||||||||||||||
InChIKey |
MUNOVTGVKVPTTH-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