| BioID | bio198762 |
|---|
| Name | (S)-2-((1R,2R)-2-(2,3-DICHLORO-4H-THIENO[3,2-B]PYRROLE-5-CARBOXAMIDO)-2,3-DIHYDRO-1H-INDEN-1-YL)-4-METHOXYBUTANOIC ACID (DIASTEREOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1084328 |
|---|
| Molecular Formula | C21H20Cl2N2O4S |
|---|
| Molecular Weight | 467.37 |
|---|
| Molecular Weight (Monoisotopic) | 466.0521 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | None |
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| Smiles | COCCC(C(=O)O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 |
|---|
| Inchi | InChI=1S/C21H20Cl2N2O4S/c1-29-7-6-12(21(27)28)16-11-5-3-2-4-10(11)8-13(16)25-20(26)14-9-15-18(24-14)17(22)19(23)30-15/h2-5,9,12-13,16,24H,6-8H2,1H3,(H,25,26)(H,27,28)/t12?,13-,16+/m1/s1 |
|---|
| Inchi Key | QAOGQNRLWKYNAK-QVNUIZJESA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | -0.16 |
|---|
| Records Key | ['17, diastereomer1', '18, diastereomer2'] |
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| Records Name | ['(S)-2-((1R,2R)-2-(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carboxamido)-2,3-dihydro-1H-inden-1-yl)-4-methoxybutanoic acid', '(S)-2-((1R,2R)-2-(2,3-di chloro-4H-thieno[3,2-b]pyrrole-5-carboxamido)-2,3-dihydro-1H-inden-1-yl)-4-methoxybutanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
