General Information of the Compound
| Compound ID |
CP0569729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17F2N7O2
|
||||||||||||||||||
| Molecular Weight |
389.366
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C1CCC1(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17F2N7O2/c1-25-8-10(16(24-25)28-2)15(27)22-13-5-3-4-11(21-13)14-23-20-9-26(14)12-6-7-17(12,18)19/h3-5,8-9,12H,6-7H2,1-2H3,(H,21,22,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTZYYCSXTFQLSV-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