General Information of the Compound
| Compound ID |
CP0537848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2,6-diamino-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C37H78ClN3O3
|
||||||||||||||||||
| Molecular Weight |
648.502
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@@H](N)CCCCN)OCCCCCCCCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H77N3O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-42-34-35(33-40-37(41)36(39)29-25-26-30-38)43-32-28-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36H,3-34,38-39H2,1-2H3,(H,40,41);1H/t35?,36-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEETVCQPBYXWCB-MHPRJFMDSA-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 | |||||||||||||||||||
| 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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor