General Information of the Compound
| Compound ID |
CP0565155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11078186, Example 120
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F7N2O4
|
||||||||||||||||||
| Molecular Weight |
590.536
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(=O)CO)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F7N2O4/c1-25(19-6-8-21(29)9-7-19)16-37(24(40)18-10-12-36(13-11-18)23(39)15-38)14-22(25)17-2-4-20(5-3-17)26(41,27(30,31)32)28(33,34)35/h2-9,18,22,38,41H,10-16H2,1H3/t22-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSAIHERMGKDZLS-WIOPSUGQSA-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