General Information of the Compound
| Compound ID |
CP0522213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33NO4
|
||||||||||||||||||
| Molecular Weight |
447.575
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDYCYWQDIVTVDR-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