General Information of the Compound
| Compound ID |
CP0493845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[1-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]piperidine-3-carbonyl]amino]pyridine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O5S
|
||||||||||||||||||
| Molecular Weight |
535.586
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)N2CCCC(C2)C(=O)Nc2ccc(nc2)C(O)=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O5S/c1-36-18-8-6-15(10-19(18)37-2)28-21-20-23(38-13-27-20)31-25(30-21)32-9-3-4-14(12-32)22(33)29-16-5-7-17(24(34)35)26-11-16/h5-8,10-11,13-14H,3-4,9,12H2,1-2H3,(H,29,33)(H,34,35)(H,28,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDACUQSKLWHIGR-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