General Information of the Compound
| Compound ID |
CP0475044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[3-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
523.058
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27ClN4O3S/c28-21-6-4-20(5-7-21)26(33)30-22-3-1-2-19(16-22)18-29-27-31-24-9-8-23(17-25(24)36-27)35-15-12-32-10-13-34-14-11-32/h1-9,16-17H,10-15,18H2,(H,29,31)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRIJSJOUHIQLEJ-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