| BioID | bio200394 |
|---|
| Name | BEROTRALSTAT HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL4594272 |
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| Molecular Formula | C30H28Cl2F4N6O |
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| Molecular Weight | 635.49 |
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| Molecular Weight (Monoisotopic) | 562.2104 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | BCX7353.2HCl|BEROTRALSTAT DIHYDROCHLORIDE|BEROTRALSTAT HYDROCHLORIDE|Orladeyo |
|---|
| Smiles | Cl.Cl.N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1 |
|---|
| Inchi | InChI=1S/C30H26F4N6O.2ClH/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36;;/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41);2*1H |
|---|
| Inchi Key | XFZLBLTUANGZBD-UHFFFAOYSA-N |
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| Molecular Species | BASE |
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| Targets | None |
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| Bioactivities | None |
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| Np Likeness Score | -1.71 |
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| Records Key | ['BEROTRALSTAT HYDROCHLORIDE', 'BEROTRALSTAT HYDROCHLORIDE', 'BEROTRALSTAT HYDROCHLORIDE'] |
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| Records Name | ['BEROTRALSTAT HYDROCHLORIDE', 'BEROTRALSTAT HYDROCHLORIDE', 'BEROTRALSTAT HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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