General Information of the Compound
| Compound ID |
CP0569091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8829200, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N6O
|
||||||||||||||||||
| Molecular Weight |
442.567
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)c1ccccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N6O/c1-25(2,3)31-23(33)19-10-8-7-9-18(19)22-30-20-13-16(17-14-28-24(27)29-15-17)11-12-21(20)32(22)26(4,5)6/h7-15H,1-6H3,(H,31,33)(H2,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJMBVOHNMLBGJW-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