General Information of the Compound
| Compound ID |
CP0376643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9169260, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17N7O
|
||||||||||||||||||
| Molecular Weight |
395.426
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17N7O/c1-15-5-7-17(8-6-15)29-20(12-19(27-29)16-4-2-9-23-13-16)26-22(30)18-14-25-28-11-3-10-24-21(18)28/h2-14H,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAOODHZEPCOZQX-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