General Information of the Compound
| Compound ID |
CP0090058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11N3O3S
|
||||||||||||||||||
| Molecular Weight |
325.349
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1csc(NC(=O)c2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11N3O3S/c20-14(10-4-2-1-3-5-10)19-16-18-13(9-23-16)12-8-11(15(21)22)6-7-17-12/h1-9H,(H,21,22)(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDJRPCMACHUKPI-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