General Information of the Compound
| Compound ID |
CP0381837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29BrN2O3
|
||||||||||||||||||
| Molecular Weight |
449.389
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NC(=O)c2ccc(Br)cc2)ccc1OCCN(C(C)C)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29BrN2O3/c1-15(2)25(16(3)4)12-13-28-20-11-10-19(14-21(20)27-5)24-22(26)17-6-8-18(23)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUDHDBOCFJMMLE-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