General Information of the Compound
| Compound ID |
CP0943699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(difluoromethoxy)-2-fluorobenzyl)piperazin-1-yl)-N-isopropyl-7-methylpyrido[3,4-b]pyrazin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27F3N6O
|
||||||||||||||||||
| Molecular Weight |
460.504
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2nc(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)c(NC(C)C)nc2cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27F3N6O/c1-14(2)28-21-22(30-19-10-15(3)27-12-20(19)29-21)32-8-6-31(7-9-32)13-16-4-5-17(11-18(16)24)33-23(25)26/h4-5,10-12,14,23H,6-9,13H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVFKYRPNRSORAM-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