General Information of the Compound
| Compound ID |
CP0447451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)cyclopenten-1-yl]-ethoxyphosphinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H31N4O4P
|
||||||||||||||||||
| Molecular Weight |
374.422
|
||||||||||||||||||
| Canonical SMILES |
CCOP(O)(=O)C1=C[C@@H]([C@@H](NC(C)=O)C(CC)CC)[C@@H](C1)NC(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H31N4O4P/c1-5-11(6-2)15(19-10(4)21)13-8-12(25(22,23)24-7-3)9-14(13)20-16(17)18/h8,11,13-15H,5-7,9H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCVHOKDIRUQCOA-KFWWJZLASA-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: PT00018, Neuraminidase
Cell-based Assay