General Information of the Compound
| Compound ID |
CP0484018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 56
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37NO6
|
||||||||||||||||||
| Molecular Weight |
519.638
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(CCC(O)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37NO6/c1-35-23-9-8-21-16-24-29-11-12-31(36-2,22(17-29)19-37-18-20-6-4-3-5-7-20)28-30(29,26(21)27(23)38-28)13-15-32(24)14-10-25(33)34/h3-9,22,24,28H,10-19H2,1-2H3,(H,33,34)/t22-,24-,28-,29-,30+,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIKNKSSGOZQLQU-NPBSHTHCSA-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