General Information of the Compound
| Compound ID |
CP0478624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181182, 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H47NO3
|
||||||||||||||||||
| Molecular Weight |
457.699
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-12-33-27-9-8-22(10-11-29(30,20-31)21-32)16-26(27)28-17-23-13-24(18-28)15-25(14-23)19-28/h8-9,16,23-25,31-32H,2-7,10-15,17-21,30H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUOKYABOFZBTAY-UHFFFAOYSA-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