General Information of the Compound
| Compound ID |
CP0544742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[[3-(furan-2-yl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N3O4S
|
||||||||||||||||||
| Molecular Weight |
343.364
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N3O4S/c20-14(21)7-6-13-18-19-16(24-13)15(22)17-11-4-1-3-10(9-11)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,17,22)(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGIMSZYTYYRCRN-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