General Information of the Compound
| Compound ID |
CP0522661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-({6-[4-(2-phenylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6O2S
|
||||||||||||||||||
| Molecular Weight |
488.617
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(C)(C)c3ccccc3)cccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N6O2S/c1-18(33)29-25-30-24-20(10-7-11-21(24)35-25)34-23-16-22(27-17-28-23)31-12-14-32(15-13-31)26(2,3)19-8-5-4-6-9-19/h4-11,16-17H,12-15H2,1-3H3,(H,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBQSSPLGZPUGGF-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