General Information of the Compound
| Compound ID |
CP0397668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cuban-1-yl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21N3O
|
||||||||||||||||||
| Molecular Weight |
307.397
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)C12C3C4C5C3C1C5C24)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21N3O/c1-9-8-21(10-4-2-3-5-20-10)6-7-22(9)18(23)19-15-12-11-13(15)17(19)14(11)16(12)19/h2-5,9,11-17H,6-8H2,1H3/t9-,11?,12?,13?,14?,15?,16?,17?,19?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDJPHDWYZKBTEY-XCMJZFAGSA-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