General Information of the Compound
| Compound ID |
CP0563150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-benzyl-5-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31FN4O
|
||||||||||||||||||
| Molecular Weight |
446.57
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CNC2CCc3c(C2)c(nn3Cc2ccccc2)C(=O)N2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31FN4O/c28-22-11-9-20(10-12-22)18-29-23-13-14-25-24(17-23)26(27(33)31-15-5-2-6-16-31)30-32(25)19-21-7-3-1-4-8-21/h1,3-4,7-12,23,29H,2,5-6,13-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCDYHWCYRPGIBD-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