General Information of the Compound
| Compound ID |
CP0493846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N7O3S
|
||||||||||||||||||
| Molecular Weight |
519.631
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)N2CCCC(C2)C(=O)NCCc2ccncc2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N7O3S/c1-35-20-6-5-19(14-21(20)36-2)30-23-22-25(37-16-29-22)32-26(31-23)33-13-3-4-18(15-33)24(34)28-12-9-17-7-10-27-11-8-17/h5-8,10-11,14,16,18H,3-4,9,12-13,15H2,1-2H3,(H,28,34)(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIOKDCGTLFOODO-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