General Information of the Compound
| Compound ID |
CP0943095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminoethyl)-3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
372.774
|
||||||||||||||||||
| Canonical SMILES |
NCCNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClF3N2O2/c18-14-9-13(17(19,20)21)4-5-15(14)25-10-11-2-1-3-12(8-11)16(24)23-7-6-22/h1-5,8-9H,6-7,10,22H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VIQGSEKYJIZLCV-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