General Information of the Compound
| Compound ID |
CP0488865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminoethyl)-2-[4-[[2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetyl]amino]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N7O5
|
||||||||||||||||||
| Molecular Weight |
533.589
|
||||||||||||||||||
| Canonical SMILES |
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N7O5/c1-3-33-25-23(26(37)34(4-2)27(33)38)31-24(32-25)18-7-11-20(12-8-18)39-16-22(36)30-19-9-5-17(6-10-19)15-21(35)29-14-13-28/h5-12H,3-4,13-16,28H2,1-2H3,(H,29,35)(H,30,36)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRADBULGJNAUOV-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