General Information of the Compound
| Compound ID |
CP0448635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-iodo-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F3IN3O
|
||||||||||||||||||
| Molecular Weight |
517.333
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(I)c3)cc2C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3IN3O/c1-14-3-4-15(11-19(14)25)20(29)26-17-6-5-16(18(12-17)21(22,23)24)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQJNOOSFYQAIMI-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