General Information of the Compound
| Compound ID |
CP0491407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32FNO3
|
||||||||||||||||||
| Molecular Weight |
449.566
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1C)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32FNO3/c1-30-13-12-27-23-19-8-9-21(29)24(23)33-25(27)28(31-2)11-10-26(27,22(30)14-19)15-20(28)17-32-16-18-6-4-3-5-7-18/h3-9,20,22,25H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LURXKAVKEBVYHH-RHRQCQTHSA-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