| BioID | bio198602 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL494079 |
|---|
| Molecular Formula | C20H25ClN2O4S |
|---|
| Molecular Weight | 424.95 |
|---|
| Molecular Weight (Monoisotopic) | 388.1457 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | CAS 524679-67-2 |
|---|
| Smiles | COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(C)C)C2.Cl |
|---|
| Inchi | InChI=1S/C20H24N2O4S.ClH/c1-12(2)22-10-9-15-16(11-22)27-19(17(15)20(24)26-4)21-18(23)13-5-7-14(25-3)8-6-13;/h5-8,12H,9-11H2,1-4H3,(H,21,23);1H |
|---|
| Inchi Key | AGWAKNQMLUPMHS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.63 |
|---|
| Records Key | ['24, CAS No-524679-67-2'] |
|---|
| Records Name | ['methyl 6-isopropyl-2-(4-methoxybenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
