General Information of the Compound
| Compound ID |
CP0391285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6-nitro-2,3-dihydro-1H-inden-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N2O5
|
||||||||||||||||||
| Molecular Weight |
396.443
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](Cc2ccc(cc12)[N+]([O-])=O)N1CCC(CC1)c1cccc2OCCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O5/c25-21-18-13-16(24(26)27)5-4-15(18)12-19(21)23-8-6-14(7-9-23)17-2-1-3-20-22(17)29-11-10-28-20/h1-5,13-14,19,21,25H,6-12H2/t19-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWTANMAVZULOKT-TZIWHRDSSA-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