General Information of the Compound
| Compound ID |
CP0493842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClF3N7O2
|
||||||||||||||||||
| Molecular Weight |
483.882
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1nc(Cl)ncc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClF3N7O2/c21-19-26-11-13(16(27-19)20(22,23)24)18(33)31-9-7-30(8-10-31)15-4-3-14(28-29-15)17(32)25-6-5-12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,25,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKRDSGDSMIVUKZ-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