General Information of the Compound
| Compound ID |
CP0410972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-[(3-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4O6S
|
||||||||||||||||||
| Molecular Weight |
428.426
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4O6S/c1-28-14-4-2-3-12(9-14)21-17(27)19-23-22-18(30-19)16(26)20-11-5-7-13(8-6-11)29-10-15(24)25/h2-9H,10H2,1H3,(H,20,26)(H,21,27)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQIZZKNJQGWEHR-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