General Information of the Compound
| Compound ID |
CP0477654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N5
|
||||||||||||||||||
| Molecular Weight |
335.455
|
||||||||||||||||||
| Canonical SMILES |
NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNMQETMRHZSGJH-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