General Information of the Compound
| Compound ID |
CP0529294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN4O2
|
||||||||||||||||||
| Molecular Weight |
432.499
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccc(F)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN4O2/c1-28-10-3-4-23-22(15-28)21-8-7-19(12-24(21)29(23)2)30-11-9-20(13-25(30)31)32-16-18-6-5-17(26)14-27-18/h5-9,11-14H,3-4,10,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVFHUEXFOFDERO-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