General Information of the Compound
| Compound ID |
CP0734904
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Naphthalen-2-yl-(4-((1-(3-(trifluoromethyl)phenyl)-1H-indol-3-yl)methyl)piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26F3N3O
|
||||||||||||||||||
| Molecular Weight |
513.563
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccc2ccccc2c1)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26F3N3O/c32-31(33,34)26-8-5-9-27(19-26)37-21-25(28-10-3-4-11-29(28)37)20-35-14-16-36(17-15-35)30(38)24-13-12-22-6-1-2-7-23(22)18-24/h1-13,18-19,21H,14-17,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSWBWHSOGCCPBB-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