General Information of the Compound
| Compound ID |
CP0509789
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R,7R)-6-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NO5
|
||||||||||||||||||
| Molecular Weight |
395.455
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc3OCOc3cc12)N1CCC(CC1)c1cccc2OCCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NO5/c25-22-17-12-21-20(28-13-29-21)11-15(17)10-18(22)24-6-4-14(5-7-24)16-2-1-3-19-23(16)27-9-8-26-19/h1-3,11-12,14,18,22,25H,4-10,13H2/t18-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBMCLZFSNBQZAE-XMSQKQJNSA-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