General Information of the Compound
| Compound ID |
CP0874551
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-(dimethylamino)ethyl)benzamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23Cl2F3N4O2
|
||||||||||||||||||
| Molecular Weight |
455.308
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21F3N4O2.2ClH/c1-25(2)7-6-23-17(26)13-4-3-5-14(10-13)27-16-9-12(11-22)8-15(24-16)18(19,20)21;;/h3-5,8-10H,6-7,11,22H2,1-2H3,(H,23,26);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDGHXUKREPJPTK-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