General Information of the Compound
| Compound ID |
CP0502808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(aminomethyl)phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5
|
||||||||||||||||||
| Molecular Weight |
397.526
|
||||||||||||||||||
| Canonical SMILES |
NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5/c26-15-18-10-12-19(13-11-18)16-30(17-24-28-21-7-1-2-8-22(21)29-24)23-9-3-5-20-6-4-14-27-25(20)23/h1-2,4,6-8,10-14,23H,3,5,9,15-17,26H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOHISNQXTSCFOC-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