General Information of the Compound
| Compound ID |
CP0132074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8829199, 132
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O2
|
||||||||||||||||||
| Molecular Weight |
455.522
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(cc2n1)-n1ncc(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)c1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O2/c1-15-28-20-5-4-18(12-22(20)29-15)32-25(26)19(13-27-32)24(33)23-11-17-3-2-16(10-21(17)30-23)14-31-6-8-34-9-7-31/h2-5,10-13,30H,6-9,14,26H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVWOUPGUUIDZET-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