General Information of the Compound
| Compound ID |
CP0461759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4,7-dihydroxynaphthalen-1-yl)propyl]-4-(trifluoromethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3NO4
|
||||||||||||||||||
| Molecular Weight |
405.372
|
||||||||||||||||||
| Canonical SMILES |
CC(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(O)c2ccc(O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3NO4/c1-12(16-8-9-19(27)17-7-4-14(26)10-18(16)17)11-25-20(28)13-2-5-15(6-3-13)29-21(22,23)24/h2-10,12,26-27H,11H2,1H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAHHWDHVECYZHQ-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