General Information of the Compound
| Compound ID |
CP0506271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18F3N5O2
|
||||||||||||||||||
| Molecular Weight |
381.358
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnnc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18F3N5O2/c1-12-10-15(23-21-11-12)24-6-8-25(9-7-24)16(26)22-13-2-4-14(5-3-13)27-17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEEFIYQTDXEJPE-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