General Information of the Compound
| Compound ID |
CP0530176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2,5-Dihydroxy-benzylamino)-2-methoxy-benzoic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17NO5
|
||||||||||||||||||
| Molecular Weight |
303.314
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17NO5/c1-21-15-6-3-11(8-13(15)16(20)22-2)17-9-10-7-12(18)4-5-14(10)19/h3-8,17-19H,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNZTZLFUUAUBOO-UHFFFAOYSA-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