General Information of the Compound
| Compound ID |
CP0546515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8835470, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F3N5O5
|
||||||||||||||||||
| Molecular Weight |
515.448
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](C)NC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F3N5O5/c1-12(21(34)28-2)29-22(35)18(33)14-8-10-15(11-9-14)20-30-23(37-32-20)19-16(24(25,26)27)17(31-36-19)13-6-4-3-5-7-13/h3-12,18,33H,1-2H3,(H,28,34)(H,29,35)/t12-,18?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXBPMUDBBYEFPW-RSXQAXDFSA-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