General Information of the Compound
| Compound ID |
CP0554141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29F3N6O2
|
||||||||||||||||||
| Molecular Weight |
490.53
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)N3CCCC3=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F3N6O2/c25-24(26,27)15-3-8-20-19(10-15)23(30-14-29-20)28-11-21(34)31-16-12-32(13-16)17-4-6-18(7-5-17)33-9-1-2-22(33)35/h3,8,10,14,16-18H,1-2,4-7,9,11-13H2,(H,31,34)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDGFHBPSDVQZEM-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