General Information of the Compound
| Compound ID |
CP0252504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclobutyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20FN3
|
||||||||||||||||||
| Molecular Weight |
285.366
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20FN3/c18-13-6-4-12(5-7-13)17-15-8-10-19-11-9-16(15)20-21(17)14-2-1-3-14/h4-7,14,19H,1-3,8-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRSWZAPAEZRNQN-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