| BioID | bio2171 |
|---|
| Name | CILANSETRON HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2107807 |
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| Molecular Formula | C20H22ClN3O |
|---|
| Molecular Weight | 355.87 |
|---|
| Molecular Weight (Monoisotopic) | 319.1685 |
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| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CALMACTIN|CILANSETRON HCL|CILANSETRON HYDROCHLORIDE|DU-123265|DU123265|KC-9946 |
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| Smiles | Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O.Cl |
|---|
| Inchi | InChI=1S/C20H21N3O.ClH/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16;/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3;1H/t15-;/m1./s1 |
|---|
| Inchi Key | PGMSXNFJFNKUGN-XFULWGLBSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | None |
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| Bioactivities | None |
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| Np Likeness Score | -0.63 |
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| Records Key | ['CILANSETRON HYDROCHLORIDE'] |
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| Records Name | ['CILANSETRON HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
