General Information of the Compound
| Compound ID |
CP0493158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10100018, Example 55
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28FNO4
|
||||||||||||||||||
| Molecular Weight |
461.533
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)C2CCC(CC2)Oc2ccccc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28FNO4/c29-25-8-4-5-9-26(25)34-24-16-14-22(15-17-24)27(31)30(18-20-6-2-1-3-7-20)19-21-10-12-23(13-11-21)28(32)33/h1-13,22,24H,14-19H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPQKNKYIENOLIA-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