General Information of the Compound
| Compound ID |
CP0557756
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 69
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N7O
|
||||||||||||||||||
| Molecular Weight |
437.507
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1CC2CN(C2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N7O/c1-17-7-8-22(32-27-11-12-28-32)20(13-17)24(33)30-14-19-15-31(23(19)16-30)25-26-10-9-21(29-25)18-5-3-2-4-6-18/h2-13,19,23H,14-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNTVZAJHZVAGTG-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