General Information of the Compound
| Compound ID |
CP0530999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2R)-2-[(3,5-dihydroxybenzoyl)amino]-3-prop-2-ynylsulfanylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15NO5S
|
||||||||||||||||||
| Molecular Weight |
309.343
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](CSCC#C)NC(=O)c1cc(O)cc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15NO5S/c1-3-4-21-8-12(14(19)20-2)15-13(18)9-5-10(16)7-11(17)6-9/h1,5-7,12,16-17H,4,8H2,2H3,(H,15,18)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UESQKEGIOZGFOX-LBPRGKRZSA-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