General Information of the Compound
| Compound ID |
CP0134702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[[2-[benzyl(methyl)amino]pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N4O
|
||||||||||||||||||
| Molecular Weight |
298.39
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](N)C(=O)NCc1cccnc1N(C)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N4O/c1-13(18)17(22)20-11-15-9-6-10-19-16(15)21(2)12-14-7-4-3-5-8-14/h3-10,13H,11-12,18H2,1-2H3,(H,20,22)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPJRMXOVRBZFLQ-ZDUSSCGKSA-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