General Information of the Compound
| Compound ID |
CP0883934
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{3-[3-(3-Hydroxy-2-methoxycarbonyl-phenoxy)-propyl]-phenyl}-isoxazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19NO7
|
||||||||||||||||||
| Molecular Weight |
397.383
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1c(O)cccc1OCCCc1cccc(-c2cc(C(=O)O)no2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-3,5,7-9,11-12,23H,4,6,10H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCMLXBZFQAPCSI-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