General Information of the Compound
| Compound ID |
CP0561340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F98
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN5O3
|
||||||||||||||||||
| Molecular Weight |
435.459
|
||||||||||||||||||
| Canonical SMILES |
COCC1(CCC1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccc(F)cn23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN5O3/c1-14-4-5-15(20-27-22(32-28-20)23(13-31-2)8-3-9-23)10-17(14)26-21(30)18-11-25-19-7-6-16(24)12-29(18)19/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXOREGNPVAKXRD-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