General Information of the Compound
| Compound ID |
CP0954795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(2-fluoro-4-methoxybenzyl)piperidin-1-yl)-N-isopropylpyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28F4N6O3
|
||||||||||||||||||
| Molecular Weight |
524.519
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN6O.C2HF3O2/c1-14(2)26-21-22(28-20-13-25-24-12-19(20)27-21)29-8-6-15(7-9-29)10-16-4-5-17(30-3)11-18(16)23;3-2(4,5)1(6)7/h4-5,11-15H,6-10H2,1-3H3,(H,26,27);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBLOMXJYRARWKP-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