General Information of the Compound
| Compound ID |
CP0562708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F3N2O
|
||||||||||||||||||
| Molecular Weight |
430.514
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1CNC(=O)Cc1ccc2CCCc2c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N2O/c1-17-9-11-30(12-10-17)23-15-22(25(26,27)28)8-7-21(23)16-29-24(31)14-18-5-6-19-3-2-4-20(19)13-18/h5-8,13,15,17H,2-4,9-12,14,16H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQOWULUUAGKIPJ-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