General Information of the Compound
| Compound ID |
CP0420874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(2-methoxyphenoxy)-2-morpholin-4-yl-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]pyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N7O8S
|
||||||||||||||||||
| Molecular Weight |
665.729
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N7O8S/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(46-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-16-43-17-15-38)44-18-19-45-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXLGWPUNPPHJQC-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