General Information of the Compound
| Compound ID |
CP0448720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[4-[[[6-(2-piperidin-2-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
536.101
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCC5CCCCN5)cc4s3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30ClN5O2S/c29-20-6-10-23(11-7-20)33-27(35)32-22-8-4-19(5-9-22)18-31-28-34-25-13-12-24(17-26(25)37-28)36-16-14-21-3-1-2-15-30-21/h4-13,17,21,30H,1-3,14-16,18H2,(H,31,34)(H2,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAKYKVLFZUWNJF-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