General Information of the Compound
| Compound ID |
CP0549281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618299, 51
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24FN5O2
|
||||||||||||||||||
| Molecular Weight |
445.498
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(nc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24FN5O2/c1-29-22-11-18-3-2-9-30(18)14-21(22)20-6-7-23(28-25(20)29)31-10-8-19(12-24(31)32)33-15-17-5-4-16(26)13-27-17/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUOGVIVMZAPZIY-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