General Information of the Compound
| Compound ID |
CP0567029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39NO5
|
||||||||||||||||||
| Molecular Weight |
505.655
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FAHOTOBTELSIEH-VTPACTEHSA-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