General Information of the Compound
| Compound ID |
CP0485494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 59
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F4N5O2
|
||||||||||||||||||
| Molecular Weight |
467.467
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NCC(F)F)nc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F4N5O2/c1-13(32)31-9-6-17-18(12-31)28-21(27-11-20(25)26)22(29-17)30-7-4-15(5-8-30)33-19-3-2-14(23)10-16(19)24/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXQZHPDNUHUQAQ-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