General Information of the Compound
| Compound ID |
CP0501571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-nitro-2,3-dihydro-1H-inden-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3O5
|
||||||||||||||||||
| Molecular Weight |
397.431
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](Cc2ccc(cc12)[N+]([O-])=O)N1CCN(CC1)c1cccc2OCCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O5/c25-20-16-13-15(24(26)27)5-4-14(16)12-18(20)23-8-6-22(7-9-23)17-2-1-3-19-21(17)29-11-10-28-19/h1-5,13,18,20,25H,6-12H2/t18-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRNLPHXYMGQDMJ-UYAOXDASSA-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