General Information of the Compound
| Compound ID |
CP0578728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8829200, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N6O
|
||||||||||||||||||
| Molecular Weight |
428.54
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)c1ccccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6O/c1-15(2)29-23(32)19-9-7-6-8-18(19)22-30-20-12-16(17-13-27-24(26)28-14-17)10-11-21(20)31(22)25(3,4)5/h6-15H,1-5H3,(H,29,32)(H2,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQBIUAYKNBWRTN-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