General Information of the Compound
| Compound ID |
CP0520207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-N-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O4S
|
||||||||||||||||||
| Molecular Weight |
518.639
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O4S/c1-34-23-8-4-21(5-9-23)27(33)30-22-6-2-20(3-7-22)19-29-28-31-25-11-10-24(18-26(25)37-28)36-17-14-32-12-15-35-16-13-32/h2-11,18H,12-17,19H2,1H3,(H,29,31)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYMIJYFECYVVGH-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