General Information of the Compound
| Compound ID |
CP0576225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11078186, Example 104
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F7N2O2
|
||||||||||||||||||
| Molecular Weight |
554.506
|
||||||||||||||||||
| Canonical SMILES |
C[C@]1(CN(C[C@@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCc1ccccc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F7N2O2/c1-25(20-11-13-22(29)14-12-20)17-37(24(38)36-15-18-5-3-2-4-6-18)16-23(25)19-7-9-21(10-8-19)26(39,27(30,31)32)28(33,34)35/h2-14,23,39H,15-17H2,1H3,(H,36,38)/t23-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZZQWPNMECGJBM-NOZRDPDXSA-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