General Information of the Compound
| Compound ID |
CP0557969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F112
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20FN5O2
|
||||||||||||||||||
| Molecular Weight |
405.433
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)C3)n2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20FN5O2/c1-12-3-6-19-24-10-18(28(19)11-12)21(29)25-17-9-14(5-4-13(17)2)20-26-22(30-27-20)15-7-16(23)8-15/h3-6,9-11,15-16H,7-8H2,1-2H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCSAWLWVPXOKBG-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