| BioID | bio88658 |
|---|
| Name | BEROTRALSTAT |
|---|
| ChEMBL ID | CHEMBL4594271 |
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| Molecular Formula | C30H26F4N6O |
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| Molecular Weight | 562.57 |
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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 | Tar101 |
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| Target Name | None |
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| Synonyms | BCX-7353|BCX7353|BEROTRALSTAT |
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| Smiles | N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1 |
|---|
| Inchi | InChI=1S/C30H26F4N6O/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) |
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| Inchi Key | UXNXMBYCBRBRFD-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 52.0 |
|---|
| Np Likeness Score | -1.71 |
|---|
| Records Key | ['BEROTRALSTAT', 'BEROTRALSTAT', '32b', 'BEROTRALSTAT', '32', '32a; BCX7353'] |
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| Records Name | ['BEROTRALSTAT', 'BEROTRALSTAT', '(-)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropylmethylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide', 'BEROTRALSTAT', '1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropylmethylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide', '(+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropylmethylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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