General Information of the Compound
| Compound ID |
CP0569453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10806720, Compound 1019
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11F6N5O2
|
||||||||||||||||||
| Molecular Weight |
407.274
|
||||||||||||||||||
| Canonical SMILES |
C[C@](O)(Cn1cnc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11F6N5O2/c1-13(28,6-26-7-23-11(25-26)15(19,20)21)12(27)24-9-3-2-8(5-22)10(4-9)14(16,17)18/h2-4,7,28H,6H2,1H3,(H,24,27)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXKBPMXWVBTRAY-ZDUSSCGKSA-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