General Information of the Compound
| Compound ID |
CP0574251
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11078186, Example 25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F7N2O3
|
||||||||||||||||||
| Molecular Weight |
574.537
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1C[C@@H](c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F7N2O3/c1-17(38)36-13-11-19(12-14-36)24(39)37-15-23(25(2,16-37)20-7-9-22(29)10-8-20)18-3-5-21(6-4-18)26(40,27(30,31)32)28(33,34)35/h3-10,19,23,40H,11-16H2,1-2H3/t23-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLEBLNIHUKCNPF-UKILVPOCSA-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