General Information of the Compound
| Compound ID |
CP0878950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Grandisine G
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H26N2O2
|
||||||||||||||||||
| Molecular Weight |
290.407
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C[C@@H]1C[C@H](C)CC(C2=CCCN3CCCC23)=N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H26N2O2/c1-12-9-13(11-17(20)21-2)18-15(10-12)14-5-3-7-19-8-4-6-16(14)19/h5,12-13,16H,3-4,6-11H2,1-2H3/t12-,13-,16?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOKUWLHFPJKDKM-VORVDWIASA-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