General Information of the Compound
| Compound ID |
CP0414560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249096, 193
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23Cl2FN2O3
|
||||||||||||||||||
| Molecular Weight |
465.352
|
||||||||||||||||||
| Canonical SMILES |
CC1N(CCc2ccc(F)cc2)C(=O)C(O)=C1C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23Cl2FN2O3/c1-14-20(22(30)27-11-2-3-16-6-9-18(24)19(25)13-16)21(29)23(31)28(14)12-10-15-4-7-17(26)8-5-15/h4-9,13-14,29H,2-3,10-12H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBDLBGFGXDNYBR-UHFFFAOYSA-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