General Information of the Compound
| Compound ID |
CP0678448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(benzo[d]thiazol-2-yl)-6-(((3R,6R)-6-methylpiperidin-3-yl)amino)-2-morpholinopyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
426.546
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CC[C@@H](Nc2nc(N3CCOCC3)[nH]c(=O)c2-c2nc3ccccc3s2)CN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O2S/c1-13-6-7-14(12-22-13)23-18-17(20-24-15-4-2-3-5-16(15)30-20)19(28)26-21(25-18)27-8-10-29-11-9-27/h2-5,13-14,22H,6-12H2,1H3,(H2,23,25,26,28)/t13-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPLNTIISFSQCAJ-ZIAGYGMSSA-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