General Information of the Compound
| Compound ID |
CP0560731
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2R)-3-prop-2-enylsulfanyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17NO6S
|
||||||||||||||||||
| Molecular Weight |
327.358
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](CSCC=C)NC(=O)c1cc(O)c(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17NO6S/c1-3-4-22-7-9(14(20)21-2)15-13(19)8-5-10(16)12(18)11(17)6-8/h3,5-6,9,16-18H,1,4,7H2,2H3,(H,15,19)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNRWIVGNGZTYCF-VIFPVBQESA-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