General Information of the Compound
| Compound ID |
CP0539806
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 36
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H59NO9
|
||||||||||||||||||
| Molecular Weight |
721.932
|
||||||||||||||||||
| Canonical SMILES |
COCCOCCOCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H59NO9/c1-44-16-17-46-18-19-47-20-21-48-22-23-49-24-25-51-35-11-10-33-26-36-40-12-13-42(45-2,34(27-40)30-50-29-32-6-4-3-5-7-32)39-41(40,37(33)38(35)52-39)14-15-43(36)28-31-8-9-31/h3-7,10-11,31,34,36,39H,8-9,12-30H2,1-2H3/t34-,36-,39-,40-,41+,42-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XANWUMAEHRCRAP-ULPHGGBCSA-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