General Information of the Compound
| Compound ID |
CP0047859
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6O4
|
||||||||||||||||||
| Molecular Weight |
422.445
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1COCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6O4/c28-20(24-11-15-1-2-17-18(9-15)31-14-30-17)10-16-12-29-8-7-27(16)19-3-4-23-21(25-19)26-6-5-22-13-26/h1-6,9,13,16H,7-8,10-12,14H2,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQSBSZNNVXQJSJ-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