General Information of the Compound
| Compound ID |
CP0412709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772304, 17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN6O
|
||||||||||||||||||
| Molecular Weight |
392.438
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(-c2nc3cc(ccc3n2C(C)(C)C)-c2cnc(N)nc2)c(F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN6O/c1-21(2,3)28-17-6-5-12(13-9-25-20(23)26-10-13)7-16(17)27-19(28)14-8-18(29-4)24-11-15(14)22/h5-11H,1-4H3,(H2,23,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVCYXCSOEGBRNC-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