General Information of the Compound
| Compound ID |
CP0537851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-[2,3-di(tetradecoxy)propylamino]-1-oxohexan-2-yl]carbamate;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H88ClN3O5
|
||||||||||||||||||
| Molecular Weight |
870.745
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc12)OCCCCCCCCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H87N3O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-31-39-58-42-44(59-40-32-24-22-20-18-16-14-12-10-8-6-4-2)41-54-51(56)50(37-29-30-38-53)55-52(57)60-43-49-47-35-27-25-33-45(47)46-34-26-28-36-48(46)49;/h25-28,33-36,44,49-50H,3-24,29-32,37-43,53H2,1-2H3,(H,54,56)(H,55,57);1H/t44?,50-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMUZMGQJASJLGY-LYGWOZEDSA-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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor