General Information of the Compound
| Compound ID |
CP0532861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2R)-2-amino-3-pent-4-enylsulfanylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H17NO2S
|
||||||||||||||||||
| Molecular Weight |
203.307
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H](N)CSCCCC=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H17NO2S/c1-3-4-5-6-13-7-8(10)9(11)12-2/h3,8H,1,4-7,10H2,2H3/t8-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNJADRPHFKSLHU-QMMMGPOBSA-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