General Information of the Compound
| Compound ID |
CP0519699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 112
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26F3N5O2
|
||||||||||||||||||
| Molecular Weight |
473.499
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc(nc2nc([nH]c12)-c1cc(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F3N5O2/c1-23(2,3)19-13-17(32(4)31-19)21-29-20-18(34-11-10-33-5)12-16(28-22(20)30-21)14-8-6-7-9-15(14)24(25,26)27/h6-9,12-13H,10-11H2,1-5H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPHSHSUMVKMPOH-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