General Information of the Compound
| Compound ID |
CP0437379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-({6-[4-(propan-2-yl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N6O2S
|
||||||||||||||||||
| Molecular Weight |
412.519
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N6O2S/c1-13(2)25-7-9-26(10-8-25)17-11-18(22-12-21-17)28-15-5-4-6-16-19(15)24-20(29-16)23-14(3)27/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTCGMVBBPLRWSC-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