General Information of the Compound
| Compound ID |
CP0514626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029393, 136
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN6O
|
||||||||||||||||||
| Molecular Weight |
404.449
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(cc2n1)C(=O)N1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN6O/c23-15-6-8-19-25-12-18(29(19)13-15)20-16-7-5-14(11-17(16)26-22(24)27-20)21(30)28-9-3-1-2-4-10-28/h5-8,11-13H,1-4,9-10H2,(H2,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAUYYUTZOLDHOF-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