General Information of the Compound
| Compound ID |
CP0479476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9714221, Example 75
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31F4NO3
|
||||||||||||||||||
| Molecular Weight |
541.585
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31F4NO3/c32-16-2-17-36-18-15-27(20-36)38-25-10-7-22(8-11-25)30-28(4-1-3-23-19-24(37)9-14-29(23)30)21-5-12-26(13-6-21)39-31(33,34)35/h5-14,19,27,37H,1-4,15-18,20H2/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUVIEOMIPZIETH-MHZLTWQESA-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