| BioID | bio3282 |
|---|
| Name | HEXETIDINE |
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| ChEMBL ID | CHEMBL144673 |
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| Molecular Formula | C21H45N3 |
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| Molecular Weight | 339.61 |
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| Molecular Weight (Monoisotopic) | 339.3613 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | HEXETIDINA|HEXETIDINE|HEXOPYRIMIDINE|NSC-17764|ORALDENE |
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| Smiles | CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 |
|---|
| Inchi | InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3 |
|---|
| Inchi Key | DTOUUUZOYKYHEP-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
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| Targets | 35.0 |
|---|
| Bioactivities | 52.0 |
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| Np Likeness Score | 0.35 |
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| Records Key | ['SID93576718', 'Hexetidine', 'HEXETIDINE', 'Hexetidine', 'SID170465729', 'SID26748327', 'HEXETIDINE', 'SID144203975', 'HEXETIDINE', 'HEXETIDINE', 'Hexetidine', 'HEXETIDINE', 'hexetidine', 'BA1000600'] |
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| Records Name | ['SID93576718', '1,3-Bis-(2-ethyl-hexyl)-5-methyl-hexahydro-pyrimidin-5-ylamine', 'HEXETIDINE', 'Hexetidine', 'SID170465729', 'SID26748327', 'HEXETIDINE', 'SID144203975', 'HEXETIDINE', 'HEXETIDINE', 'Hexetidine', 'HEXETIDINE', 'hexetidine', 'HEXETIDINE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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