General Information of the Compound
| Compound ID |
CP0499819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(aminomethyl)pyridin-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6
|
||||||||||||||||||
| Molecular Weight |
398.514
|
||||||||||||||||||
| Canonical SMILES |
NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6/c25-13-18-10-12-26-14-19(18)15-30(16-23-28-20-7-1-2-8-21(20)29-23)22-9-3-5-17-6-4-11-27-24(17)22/h1-2,4,6-8,10-12,14,22H,3,5,9,13,15-16,25H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKNFQSCHMHWAQV-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