General Information of the Compound
| Compound ID |
CP0389573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9765054, Compound 56e
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O3
|
||||||||||||||||||
| Molecular Weight |
350.418
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)N1CC2(COC2)C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O3/c24-20(22-25)19-17(14-4-2-1-3-5-14)18(19)15-6-8-16(9-7-15)23-10-21(11-23)12-26-13-21/h1-9,17-19,25H,10-13H2,(H,22,24)/t17-,18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJQZJJWJCFWGMO-GUDVDZBRSA-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