General Information of the Compound
| Compound ID |
CP0559773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 88
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN2O2
|
||||||||||||||||||
| Molecular Weight |
354.425
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1Cc2cccc(NC(=O)N[C@@H]3CC[C@H](C3)c3ccccc3F)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN2O2/c22-19-6-2-1-5-17(19)14-8-9-15(10-14)23-21(26)24-20-7-3-4-13-11-16(25)12-18(13)20/h1-7,14-16,25H,8-12H2,(H2,23,24,26)/t14-,15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWCHZORHHWEPPM-OAGGEKHMSA-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