General Information of the Compound
| Compound ID |
CP0431871
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(2-amino-3-pentylquinolin-5-yl)butyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29N5
|
||||||||||||||||||
| Molecular Weight |
327.476
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1cc2c(CCCCNC(N)=N)cccc2nc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29N5/c1-2-3-4-9-15-13-16-14(8-5-6-12-23-19(21)22)10-7-11-17(16)24-18(15)20/h7,10-11,13H,2-6,8-9,12H2,1H3,(H2,20,24)(H4,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCEGAWBZUZNZLV-UHFFFAOYSA-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