| BioID | bio170242 |
|---|
| Name | DACTOLISIB TOSYLATE |
|---|
| ChEMBL ID | CHEMBL3039506 |
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| Molecular Formula | C37H31N5O4S |
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| Molecular Weight | 641.75 |
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| Molecular Weight (Monoisotopic) | 469.1903 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar44 |
|---|
| Target Name | None |
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| Synonyms | DACTOLISIB TOSILATE|DACTOLISIB TOSYLATE|NVP-BEZ235-ANA |
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| Smiles | Cc1ccc(S(=O)(=O)O)cc1.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 |
|---|
| Inchi | InChI=1S/C30H23N5O.C7H8O3S/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,1-3H3;2-5H,1H3,(H,8,9,10) |
|---|
| Inchi Key | FWURTHAUPVXZHW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.9 |
|---|
| Records Key | ['DACTOLISIB TOSYLATE', 'EOS101474'] |
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| Records Name | ['DACTOLISIB TOSYLATE', 'BEZ235 (Tosylate)'] |
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| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
