General Information of the Compound
| Compound ID |
CP0957875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N7O4
|
||||||||||||||||||
| Molecular Weight |
515.574
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(=NOCCN4CCOCC4)C3)n2)cc1NC(=O)c1cnc2ccccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N7O4/c1-18-5-6-19(16-22(18)29-26(35)23-17-28-24-4-2-3-7-34(23)24)25-30-27(38-32-25)20-14-21(15-20)31-37-13-10-33-8-11-36-12-9-33/h2-7,16-17,20H,8-15H2,1H3,(H,29,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHYADCWMERYDNF-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 | |||||||||||||||||||
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