General Information of the Compound
| Compound ID |
CP0122137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(5-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-{[(5-methylthiophen-2-yl)methyl]amino}pyridine-4-carboxylic acid
AKOS020330656
BDBM50153334
CHEMBL3774545
RFUZGPWCXINBNW-UHFFFAOYSA-N
SCHEMBL15820618
ZINC123452149
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N2O2S
|
||||||||||||||||||
| Molecular Weight |
248.307
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CNc2cnccc2C(O)=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N2O2S/c1-8-2-3-9(17-8)6-14-11-7-13-5-4-10(11)12(15)16/h2-5,7,14H,6H2,1H3,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFUZGPWCXINBNW-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
Clinical Information about the Compound