General Information of the Compound
| Compound ID |
CP0046896
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[bis(4-fluorophenyl)-hydroxymethyl]triazol-2-yl]-[2-[(3-methoxyphenyl)methyl]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28F2N4O3
|
||||||||||||||||||
| Molecular Weight |
518.564
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CC2CCCCN2C(=O)n2ncc(n2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28F2N4O3/c1-38-26-7-4-5-20(18-26)17-25-6-2-3-16-34(25)28(36)35-32-19-27(33-35)29(37,21-8-12-23(30)13-9-21)22-10-14-24(31)15-11-22/h4-5,7-15,18-19,25,37H,2-3,6,16-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPLATZJJTWVAGS-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