General Information of the Compound
| Compound ID |
CP0522176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(2-methoxyphenoxy)-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26N8O7S
|
||||||||||||||||||
| Molecular Weight |
630.643
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26N8O7S/c1-19-11-12-23(33-18-19)45(39,40)37-25-24(44-21-9-4-3-8-20(21)41-2)28(36-27(35-25)26-31-14-7-15-32-26)42-16-17-43-29(38)34-22-10-5-6-13-30-22/h3-15,18H,16-17H2,1-2H3,(H,30,34,38)(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDIGUOCUKLHGNZ-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