General Information of the Compound
| Compound ID |
CP0545141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 4-33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22FN3O2
|
||||||||||||||||||
| Molecular Weight |
379.435
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22FN3O2/c1-28-17-8-9-26(13-17)12-14-2-7-18-19(15-3-5-16(23)6-4-15)11-21(22(24)27)25-20(18)10-14/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,24,27)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYEIHAOFOUDVTB-KRWDZBQOSA-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